Product Name

  • Name

    1,3-Dichloropropene

  • EINECS 208-826-5
  • CAS No. 542-75-6
  • Article Data30
  • CAS DataBase
  • Density 1.175 g/cm3
  • Solubility water: <0.01 g/100 mL at 16.5 °C
  • Melting Point -60 °C
  • Formula C3H4Cl2
  • Boiling Point 108.4 °C at 760 mmHg
  • Molecular Weight 110.971
  • Flash Point 27.8 °C
  • Transport Information UN 1992 3/PG 3
  • Appearance clear yellowish to brownish liquid
  • Safety 36/37-45-60-61
  • Risk Codes 10-20/21-25-36/37/38-43-50/53
  • Molecular Structure Molecular Structure of 542-75-6 (1,3-Dichloropropene)
  • Hazard Symbols ToxicT,DangerousN
  • Synonyms Propene,1,3-dichloro- (8CI);1,3-D;1,3-Dichloro-1-propene;1,3-Dichloro-2-propene;1,3-Dichloropropylene;3-Chloroallyl chloride;3-Chloropropenyl chloride;D-D 92;DD 95;Dorlane II;NSC 6202;Telone;Telone92;Telone II;Telone II-B;a,g-Dichloropropylene;g-Chloroallyl chloride;
  • PSA 0.00000
  • LogP 1.97770

Synthetic route

propene
187737-37-7

propene

A

2-chloropropene
557-98-2

2-chloropropene

B

1,2-Dichloropropane
26198-63-0, 78-87-5

1,2-Dichloropropane

C

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

D

isopropyl chloride
75-29-6

isopropyl chloride

E

propenyl chloride
590-21-6

propenyl chloride

F

3-chloroprop-1-ene
107-05-1

3-chloroprop-1-ene

Conditions
ConditionsYield
With aluminum oxide; copper dichloride; dibenzoyl peroxide at 489.9℃; for 0.000555556h; Product distribution; Mechanism; also other temperatures (503 K - 753 K) and initiators (chloral dioxyperoxide);A 0.7%
B 3.3%
C 0.8%
D 1.8%
E 0.9%
F 91.4%
1,3-Dichloro-2-propanol
96-23-1

1,3-Dichloro-2-propanol

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

Conditions
ConditionsYield
With phosphorus pentoxide
With phosphorus pentaoxide
With trichlorophosphate
at 350℃; Reagent/catalyst; Temperature; Inert atmosphere;
at 350℃; Reagent/catalyst; Temperature; Inert atmosphere;
1,2,3-trichloropropane
96-18-4

1,2,3-trichloropropane

A

2,3-Dichloroprop-1-ene
78-88-6

2,3-Dichloroprop-1-ene

B

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

3,3-dichloropropene
563-57-5

3,3-dichloropropene

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

Conditions
ConditionsYield
With hydrogenchloride at 100℃;
propene
187737-37-7

propene

3-chloroprop-1-ene
107-05-1

3-chloroprop-1-ene

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

Conditions
ConditionsYield
With chlorine at 510℃; technische Darstellung;
With chlorine at 510℃; technische Darstellung;
2-propynyl chloride
624-65-7

2-propynyl chloride

A

2,3-Dichloroprop-1-ene
78-88-6

2,3-Dichloroprop-1-ene

B

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

Conditions
ConditionsYield
With hydrogenchloride; mercury dichloride In acetic acid
phosphorus pentachloride
10026-13-8, 874483-75-7

phosphorus pentachloride

acrolein
107-02-8

acrolein

A

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

B

3,3-dichloropropene
563-57-5

3,3-dichloropropene

phosphorus pentachloride
10026-13-8, 874483-75-7

phosphorus pentachloride

acrolein
107-02-8

acrolein

A

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

B

1,1,3-trichloropropane
20395-25-9

1,1,3-trichloropropane

C

3,3-dichloropropene
563-57-5

3,3-dichloropropene

hydrogenchloride
7647-01-0

hydrogenchloride

3,3-dichloropropene
563-57-5

3,3-dichloropropene

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

Conditions
ConditionsYield
at 100℃;
3,3-dichloropropene
563-57-5

3,3-dichloropropene

iron(III) chloride
7705-08-0

iron(III) chloride

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

Conditions
ConditionsYield
Isomerisierung;
1,3-Dichloro-2-propanol
96-23-1

1,3-Dichloro-2-propanol

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

benzenesulfonic acid-<β.β'dichloro-isopropyl>-ester

benzenesulfonic acid-<β.β'dichloro-isopropyl>-ester

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

Conditions
ConditionsYield
at 240 - 250℃;
1,3-Dichloro-2-propanol
96-23-1

1,3-Dichloro-2-propanol

phosphoric acid anhydride

phosphoric acid anhydride

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

1,3-Dichloro-2-propanol
96-23-1

1,3-Dichloro-2-propanol

phosphorus pentoxide

phosphorus pentoxide

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

symm. dichlorohydrin

symm. dichlorohydrin

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

Conditions
ConditionsYield
With trichlorophosphate
With phosphorus pentoxide
1,2,3-trichloropropane
96-18-4

1,2,3-trichloropropane

potash

potash

A

2,3-Dichloroprop-1-ene
78-88-6

2,3-Dichloroprop-1-ene

B

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

acrolein
107-02-8

acrolein

A

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

B

3.3-dichloropropene-(1); 1 1 3-trichloro-propane

3.3-dichloropropene-(1); 1 1 3-trichloro-propane

Conditions
ConditionsYield
With phosphorus pentachloride
benzenesulfonic acid-(β,β'-dichloro-isopropyl ester)
17232-07-4

benzenesulfonic acid-(β,β'-dichloro-isopropyl ester)

A

hydrogenchloride
7647-01-0

hydrogenchloride

B

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

C

benzenesulfonic acid
98-11-3

benzenesulfonic acid

D

sulfur dioxide

sulfur dioxide

Conditions
ConditionsYield
at 240 - 250℃;
propene
187737-37-7

propene

A

2,3-Dichloroprop-1-ene
78-88-6

2,3-Dichloroprop-1-ene

B

1,2-Dichloropropane
26198-63-0, 78-87-5

1,2-Dichloropropane

C

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

D

chlorobenzene
108-90-7

chlorobenzene

E

polychlorinated dibenzofuranspolychlorinated dibenzodioxins

polychlorinated dibenzofuranspolychlorinated dibenzodioxins

Conditions
ConditionsYield
With hydrogenchloride; air; fly ash at 349 - 548℃; for 0.000277778h; oxychlorination; Further byproducts given;
methylene chloride
74-87-3

methylene chloride

1,2-Dichloroethylene
540-59-0

1,2-Dichloroethylene

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

Conditions
ConditionsYield
at 420℃; under 14206.3 Torr; Product distribution / selectivity;
E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

1-(tert-butyloxycarbonyl)-5-[(tert-butyloxycarbonyl)amino]-7-(benzyloxy)-4-iodoindole
277317-27-8

1-(tert-butyloxycarbonyl)-5-[(tert-butyloxycarbonyl)amino]-7-(benzyloxy)-4-iodoindole

7-benzyloxy-5-[tert-butoxycarbonyl-(3-chloro-allyl)-amino]-4-iodo-indole-1-carboxylic acid tert-butyl ester
277317-31-4

7-benzyloxy-5-[tert-butoxycarbonyl-(3-chloro-allyl)-amino]-4-iodo-indole-1-carboxylic acid tert-butyl ester

Conditions
ConditionsYield
With sodium hydride In N,N-dimethyl-formamide at 25℃; for 1h; Alkylation;100%
tert-butyl 1-bromo-7-cyano-2-naphthylcarbamate

tert-butyl 1-bromo-7-cyano-2-naphthylcarbamate

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

tert-butyl 1-bromo-7-cyano-2-naphthyl(3-chloro-2-propen-1-yl)carbamate

tert-butyl 1-bromo-7-cyano-2-naphthyl(3-chloro-2-propen-1-yl)carbamate

Conditions
ConditionsYield
With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 2h;100%
tert-butyl (1-bromonaphthalen-2-yl)carbamate
454713-47-4

tert-butyl (1-bromonaphthalen-2-yl)carbamate

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

tert-butyl N-(1-bromo-2-naphthyl)-N-(3-chloroprop-2-enyl)carbamate
454713-48-5

tert-butyl N-(1-bromo-2-naphthyl)-N-(3-chloroprop-2-enyl)carbamate

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 70 - 80℃; for 4h; Reagent/catalyst; Solvent;100%
Stage #1: tert-butyl (1-bromonaphthalen-2-yl)carbamate With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 0.5h;
Stage #2: E/Z-1,3-Dichloropropene In N,N-dimethyl-formamide; mineral oil at 20℃; for 4h;
97%
Stage #1: tert-butyl (1-bromonaphthalen-2-yl)carbamate With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 0.5h;
Stage #2: E/Z-1,3-Dichloropropene In N,N-dimethyl-formamide at 0 - 20℃; for 4h;
97%
ethyl 4-(benzyloxy)-7-iodo-1H-indole-2-carboxylate
922506-90-9

ethyl 4-(benzyloxy)-7-iodo-1H-indole-2-carboxylate

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

ethyl 4-(benzyloxy)-1-(3-chloroallyl)-7-iodo-1H-indole-2-carboxylate
1078151-50-4

ethyl 4-(benzyloxy)-1-(3-chloroallyl)-7-iodo-1H-indole-2-carboxylate

Conditions
ConditionsYield
With potassium carbonate; sodium iodide In N,N-dimethyl-formamide at 50℃; for 19h;100%
tert-butyl 1-bromo-7-cyano-2-naphthylcarbamate

tert-butyl 1-bromo-7-cyano-2-naphthylcarbamate

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

tert-butyl 1-bromo-7-cyano-2-naphthyl(3-chloro-2-propen-1-yl)carbamate
885229-81-2

tert-butyl 1-bromo-7-cyano-2-naphthyl(3-chloro-2-propen-1-yl)carbamate

Conditions
ConditionsYield
Stage #1: tert-butyl 1-bromo-7-cyano-2-naphthylcarbamate With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃;
Stage #2: E/Z-1,3-Dichloropropene In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 2h;
100%
E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

4-bromo-5-tert-butoxycarbonylamino-indole-1-carboxylic acid tert-butyl ester
1350890-85-5

4-bromo-5-tert-butoxycarbonylamino-indole-1-carboxylic acid tert-butyl ester

4-bromo-5-[tert-butoxycarbonyl-(3-chloro-allyl)amino]-indole-1-carboxylic acid-tert-butyl ester
1350890-86-6

4-bromo-5-[tert-butoxycarbonyl-(3-chloro-allyl)amino]-indole-1-carboxylic acid-tert-butyl ester

Conditions
ConditionsYield
Stage #1: 4-bromo-5-tert-butoxycarbonylamino-indole-1-carboxylic acid tert-butyl ester With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.75h; Inert atmosphere;
Stage #2: E/Z-1,3-Dichloropropene In N,N-dimethyl-formamide; mineral oil for 3h; Inert atmosphere;
100%
Stage #1: 4-bromo-5-tert-butoxycarbonylamino-indole-1-carboxylic acid tert-butyl ester With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.25h; Inert atmosphere;
Stage #2: E/Z-1,3-Dichloropropene In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Inert atmosphere;
64%
E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

tert-butyl (7-(benzyloxy)-4-bromo-2-methylbenzo[d]oxazol-5-yl)carbamate

tert-butyl (7-(benzyloxy)-4-bromo-2-methylbenzo[d]oxazol-5-yl)carbamate

tert-butyl (7-(benzyloxy)-4-bromo-2-methylbenzo[d]oxazol-5-yl)(3-chloroallyl)carbamate

tert-butyl (7-(benzyloxy)-4-bromo-2-methylbenzo[d]oxazol-5-yl)(3-chloroallyl)carbamate

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 7h;100%
E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

hexamethylenetetramine
100-97-0

hexamethylenetetramine

1-(3-chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride

1-(3-chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride

Conditions
ConditionsYield
In chloroform at 60℃; for 12h;99.9%
E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

1-benzyloxy-3-(tert-butyloxycarbonyl)amino-4-iodoisoquinoline
577705-94-3

1-benzyloxy-3-(tert-butyloxycarbonyl)amino-4-iodoisoquinoline

3-[N-(tert-butyloxycarbonyl)-N-(3-chloroprop-2-en-1-yl)amino]-1-benzyloxy-4-iodoisoquinoline
577705-95-4

3-[N-(tert-butyloxycarbonyl)-N-(3-chloroprop-2-en-1-yl)amino]-1-benzyloxy-4-iodoisoquinoline

Conditions
ConditionsYield
Stage #1: 1-benzyloxy-3-(tert-butyloxycarbonyl)amino-4-iodoisoquinoline With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.5h;
Stage #2: E/Z-1,3-Dichloropropene With tetra-(n-butyl)ammonium iodide In N,N-dimethyl-formamide at 25℃; for 3h;
99%
With tetra-(n-butyl)ammonium iodide; sodium hydride In N,N-dimethyl-formamide at 0 - 25℃; for 3h;99%
E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

C21H22BrNO5
1613154-15-6

C21H22BrNO5

C24H25BrClNO5

C24H25BrClNO5

Conditions
ConditionsYield
With tetra-(n-butyl)ammonium iodide; sodium hydride In N,N-dimethyl-formamide at 20℃;99%
butyraldehyde oxime
110-69-0

butyraldehyde oxime

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

O-(3-chloro-2-propenyl)hydroxylamine

O-(3-chloro-2-propenyl)hydroxylamine

Conditions
ConditionsYield
With 1-methyl-1H-imidazole; 1-bromo-butane; sodium hydroxide In dichloromethane; acetonitrile at 55 - 70℃; for 1.5h; Reagent/catalyst; Temperature;99%
E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

tert-butyl (4-(benzyloxy)-1-iodonaphthalen-2-yl)carbamate
161646-53-3

tert-butyl (4-(benzyloxy)-1-iodonaphthalen-2-yl)carbamate

(4-Benzyloxy-1-iodo-naphthalen-2-yl)-((E)-3-chloro-allyl)-carbamic acid tert-butyl ester

(4-Benzyloxy-1-iodo-naphthalen-2-yl)-((E)-3-chloro-allyl)-carbamic acid tert-butyl ester

Conditions
ConditionsYield
With sodium hydride In N,N-dimethyl-formamide at 25℃; for 1h;98%
E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

4-benzyloxy-2-(tert-butyloxycarbonylamino)-1-iodo-5,6,7,8-tetrahydronaphthalene
452921-69-6

4-benzyloxy-2-(tert-butyloxycarbonylamino)-1-iodo-5,6,7,8-tetrahydronaphthalene

(4-benzyloxy-1-iodo-5,6,7,8-tetrahydro-naphthalen-2-yl)-(3-chloro-allyl)-carbamic acid tert-butyl ester
452921-84-5

(4-benzyloxy-1-iodo-5,6,7,8-tetrahydro-naphthalen-2-yl)-(3-chloro-allyl)-carbamic acid tert-butyl ester

Conditions
ConditionsYield
Stage #1: 4-benzyloxy-2-(tert-butyloxycarbonylamino)-1-iodo-5,6,7,8-tetrahydronaphthalene With sodium hydride In N,N-dimethyl-formamide at 20℃; for 0.5h;
Stage #2: E/Z-1,3-Dichloropropene In N,N-dimethyl-formamide at 20℃; for 14h; Further stages.;
98%
tert-butyl 1-bromo-7-(methylsulfonyl)-2-naphthyl(3-chloro-2-propen-1-yl)carbamate
885227-51-0

tert-butyl 1-bromo-7-(methylsulfonyl)-2-naphthyl(3-chloro-2-propen-1-yl)carbamate

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

tert-butyl 1-bromo-6-(methylsulfonyl)-2-naphthyl(3-chloro-2-propen-1-yl)carbamate

tert-butyl 1-bromo-6-(methylsulfonyl)-2-naphthyl(3-chloro-2-propen-1-yl)carbamate

Conditions
ConditionsYield
With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 7h;97%
methyl 8-bromo-7-[(tert-butoxycarbonyl)amino]-2-naphthoate

methyl 8-bromo-7-[(tert-butoxycarbonyl)amino]-2-naphthoate

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

methyl 8-bromo-7-[(tert-butoxycarbonyl)(3-chloro-2-propen-1-yl)amino]-2-naphthoate

methyl 8-bromo-7-[(tert-butoxycarbonyl)(3-chloro-2-propen-1-yl)amino]-2-naphthoate

Conditions
ConditionsYield
With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 1h;97%
tert-butyl 1-bromo-7-(methylsulfonyl)-2-naphthylcarbamate
885227-93-0

tert-butyl 1-bromo-7-(methylsulfonyl)-2-naphthylcarbamate

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

tert-butyl 1-bromo-7-(methylsulfonyl)-2-naphthyl(3-chloro-2-propen-1-yl)carbamate

tert-butyl 1-bromo-7-(methylsulfonyl)-2-naphthyl(3-chloro-2-propen-1-yl)carbamate

Conditions
ConditionsYield
With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 6.5h;97%
tert-butyl 1-bromo-7-(methylsulfonyl)-2-naphthyl(3-chloro-2-propen-1-yl)carbamate
885227-51-0

tert-butyl 1-bromo-7-(methylsulfonyl)-2-naphthyl(3-chloro-2-propen-1-yl)carbamate

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

tert-butyl 1-bromo-7-(methylsulfonyl)-2-naphthyl(3-chloro-2-propen-1-yl)carbamate
885227-52-1

tert-butyl 1-bromo-7-(methylsulfonyl)-2-naphthyl(3-chloro-2-propen-1-yl)carbamate

Conditions
ConditionsYield
Stage #1: tert-butyl 1-bromo-7-(methylsulfonyl)-2-naphthyl(3-chloro-2-propen-1-yl)carbamate With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 1h;
Stage #2: E/Z-1,3-Dichloropropene In N,N-dimethyl-formamide; mineral oil at 20℃; for 6h;
97%
methyl 8-bromo-7-[(tert-butoxycarbonyl)amino]-2-naphthoate

methyl 8-bromo-7-[(tert-butoxycarbonyl)amino]-2-naphthoate

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

methyl 8-bromo-7-[(tert-butoxycarbonyl)(3-chloro-2-propen-1-yl)amino]-2-naphthoate
885227-67-8

methyl 8-bromo-7-[(tert-butoxycarbonyl)(3-chloro-2-propen-1-yl)amino]-2-naphthoate

Conditions
ConditionsYield
With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 1h;97%
E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

N-(tert-Butyloxycarbonyl)-3-iodo-4-(methoxymethoxy)-2-naphthylamine
198708-96-2

N-(tert-Butyloxycarbonyl)-3-iodo-4-(methoxymethoxy)-2-naphthylamine

((E)-3-Chloro-allyl)-(3-iodo-4-methoxymethoxy-naphthalen-2-yl)-carbamic acid tert-butyl ester

((E)-3-Chloro-allyl)-(3-iodo-4-methoxymethoxy-naphthalen-2-yl)-carbamic acid tert-butyl ester

Conditions
ConditionsYield
With tetra-(n-butyl)ammonium iodide; sodium hydride In N,N-dimethyl-formamide at 25℃;96%
E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

[N-(tert-butyloxycarbonyl)amino]-2,4-dimethoxy-6-iodo-5-(methoxymethoxy)-3-methylbenzene
227084-62-0

[N-(tert-butyloxycarbonyl)amino]-2,4-dimethoxy-6-iodo-5-(methoxymethoxy)-3-methylbenzene

[N-(tert-butyloxycarbonyl)-N-(3-chloro-2-propen-1-yl)amino]-2,4-dimethoxy-6-iodo-5-(methoxymethoxy)-3-methylbenzene
252204-14-1

[N-(tert-butyloxycarbonyl)-N-(3-chloro-2-propen-1-yl)amino]-2,4-dimethoxy-6-iodo-5-(methoxymethoxy)-3-methylbenzene

Conditions
ConditionsYield
With tetra-(n-butyl)ammonium iodide; sodium hydride In N,N-dimethyl-formamide at 25℃;96%
tert-butyl (1-bromo-6-cyanonaphthalen-2-yl)carbamate

tert-butyl (1-bromo-6-cyanonaphthalen-2-yl)carbamate

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

tert-butyl 1-bromo-6-cyano-2-naphthyl(3-chloro-2-propenyl)carbamate

tert-butyl 1-bromo-6-cyano-2-naphthyl(3-chloro-2-propenyl)carbamate

Conditions
ConditionsYield
With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 6.5h;96%
tert-butyl (1-bromo-6-cyanonaphthalen-2-yl)carbamate

tert-butyl (1-bromo-6-cyanonaphthalen-2-yl)carbamate

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

tert-butyl 1-bromo-6-cyano-2-naphthyl(3-chloro-2-propenyl)carbamate
885229-79-8

tert-butyl 1-bromo-6-cyano-2-naphthyl(3-chloro-2-propenyl)carbamate

Conditions
ConditionsYield
Stage #1: tert-butyl (1-bromo-6-cyanonaphthalen-2-yl)carbamate With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 0.5h;
Stage #2: E/Z-1,3-Dichloropropene In N,N-dimethyl-formamide; mineral oil at 20℃; for 6h;
96%
E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

1-(benzyloxy)-4-bromo-3-((tert-butyloxycarbonyl)-amino)phenanthrene
1187567-14-1

1-(benzyloxy)-4-bromo-3-((tert-butyloxycarbonyl)-amino)phenanthrene

3-[N-(tert-butyloxycarbonyl)-N-(3-chloroprop-2-en-1-yl)amino]-1-(benzyloxy)-4-bromophenanthrene
1187567-15-2

3-[N-(tert-butyloxycarbonyl)-N-(3-chloroprop-2-en-1-yl)amino]-1-(benzyloxy)-4-bromophenanthrene

Conditions
ConditionsYield
Stage #1: 1-(benzyloxy)-4-bromo-3-((tert-butyloxycarbonyl)-amino)phenanthrene With tetra-(n-butyl)ammonium iodide; sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.25h; Inert atmosphere;
Stage #2: E/Z-1,3-Dichloropropene In N,N-dimethyl-formamide; mineral oil at 20℃; for 2h; Darkness;
96%
E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

tert-butyl (4-(benzyloxy)-5-bromo-1-iodonaphthalen-2-yl)carbamate
1381964-03-9

tert-butyl (4-(benzyloxy)-5-bromo-1-iodonaphthalen-2-yl)carbamate

tert-butyl (4-(benzyloxy)-5-bromo-1-iodonaphthalen-2-yl)-(3-chloroallyl)carbamate
1381964-04-0

tert-butyl (4-(benzyloxy)-5-bromo-1-iodonaphthalen-2-yl)-(3-chloroallyl)carbamate

Conditions
ConditionsYield
Stage #1: tert-butyl (4-(benzyloxy)-5-bromo-1-iodonaphthalen-2-yl)carbamate With tetra-(n-butyl)ammonium iodide; sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.5h;
Stage #2: E/Z-1,3-Dichloropropene In N,N-dimethyl-formamide; mineral oil at 20℃; for 1h;
96%
E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

4-methyl-pentan-2-one oxime
105-44-2

4-methyl-pentan-2-one oxime

O-(3-chloro-2-propenyl)hydroxylamine

O-(3-chloro-2-propenyl)hydroxylamine

Conditions
ConditionsYield
With sodium hydroxide at 80 - 90℃; Temperature;95.5%
methyl 2-[(tert-butoxycarbonyl)amino]-1-bromo-6-naphthoate
885227-38-3

methyl 2-[(tert-butoxycarbonyl)amino]-1-bromo-6-naphthoate

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

methyl 2-[(tert-butoxycarbonyl)(3-chloro-2-propen-1-yl)amino]-1-bromo-6-naphthoate

methyl 2-[(tert-butoxycarbonyl)(3-chloro-2-propen-1-yl)amino]-1-bromo-6-naphthoate

Conditions
ConditionsYield
With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 4.5h;95%
tert-butyl 1-bromo-7-[(dibenzylamino)sulfonyl]-2-naphthylcarbamate

tert-butyl 1-bromo-7-[(dibenzylamino)sulfonyl]-2-naphthylcarbamate

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

tert-butyl 1-bromo-7-[(dibenzylamino)sulfonyl]-2-naphthyl(3-chloro-2-propen-1-yl)carbamate

tert-butyl 1-bromo-7-[(dibenzylamino)sulfonyl]-2-naphthyl(3-chloro-2-propen-1-yl)carbamate

Conditions
ConditionsYield
With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 12h;95%
methyl 2-[(tert-butoxycarbonyl)amino]-1-bromo-6-naphthoate
885227-38-3

methyl 2-[(tert-butoxycarbonyl)amino]-1-bromo-6-naphthoate

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

methyl 2-[(tert-butoxycarbonyl)(3-chloro-2-propen-1-yl)amino]-1-bromo-6-naphthoate
885227-39-4

methyl 2-[(tert-butoxycarbonyl)(3-chloro-2-propen-1-yl)amino]-1-bromo-6-naphthoate

Conditions
ConditionsYield
Stage #1: methyl 2-[(tert-butoxycarbonyl)amino]-1-bromo-6-naphthoate With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 0.5h;
Stage #2: E/Z-1,3-Dichloropropene In N,N-dimethyl-formamide; mineral oil at 20℃; for 4h;
95%
tert-butyl 1-bromo-7-[(dibenzylamino)sulfonyl]-2-naphthylcarbamate

tert-butyl 1-bromo-7-[(dibenzylamino)sulfonyl]-2-naphthylcarbamate

E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

tert-butyl 1-bromo-7-[(dibenzylamino)sulfonyl]-2-naphthyl(3-chloro-2-propen-1-yl)carbamate
885228-03-5

tert-butyl 1-bromo-7-[(dibenzylamino)sulfonyl]-2-naphthyl(3-chloro-2-propen-1-yl)carbamate

Conditions
ConditionsYield
Stage #1: tert-butyl 1-bromo-7-[(dibenzylamino)sulfonyl]-2-naphthylcarbamate With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃;
Stage #2: E/Z-1,3-Dichloropropene In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 12h;
95%
E/Z-1,3-Dichloropropene
542-75-6

E/Z-1,3-Dichloropropene

methyl 8-(benzyloxy)-6-(N-(tert-butyloxycarbonyl)amino)-5-iodoquinoline-3-carboxylate
227084-56-2

methyl 8-(benzyloxy)-6-(N-(tert-butyloxycarbonyl)amino)-5-iodoquinoline-3-carboxylate

methyl 8-(benzyloxy)-6-[N-(tert-butyloxycarbonyl)-N-(E-3-chloro-2-propenyl)amino]-5-iodoquinoline-3-carboxylate
280573-11-7

methyl 8-(benzyloxy)-6-[N-(tert-butyloxycarbonyl)-N-(E-3-chloro-2-propenyl)amino]-5-iodoquinoline-3-carboxylate

Conditions
ConditionsYield
With sodium hydride In N,N-dimethyl-formamide at 25℃;94%

1,3-Dichloropropene Consensus Reports

NTP 10th Report on Carcinogens. IARC Cancer Review: Group 2B IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 195.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 41 (1986),p. 113.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 41 (1986),p. 113.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . NTP Carcinogenesis Studies (gavage); Clear Evidence: mouse, rat NTPTR*    National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-269 ,1986. . Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program. Community Right-To-Know List.

1,3-Dichloropropene Standards and Recommendations

OSHA PEL: TWA 1 ppm (skin)
ACGIH TLV: TWA 1 ppm (skin); Not Classifiable as a Human Carcinogen
DFG MAK: Animal Carcinogen, Suspected Human Carcinogen
DOT Classification:  3; Label: Flammable Liquid

1,3-Dichloropropene Specification

The 1,3-Dichloropropene is an organic compound with the formula C3H4Cl2. The systematic name of this chemical is (1E)-1,3-dichloroprop-1-ene. With the CAS registry number 542-75-6, it is also named as 1,3-Dichloro-1-propene. The product's categories are Pharmaceutical Raw Materials; Nematicides; Pesticides; Pesticides & Metabolites; Alpha sort;D; DAlphabetic; DIA - DICPesticides & Metabolites; API's; Alkenyl; Halogenated Hydrocarbons; Organic Building Blocks. Besides, it is clear yellowish to brownish liquid, which should be stored in a cool dry and ventilated place. It is used mainly in farming as a pesticide, specifically as a preplant fumigant and nematicide. It widely used in the US and other countries, but in the process of being phased out in the European Union.

Physical properties about 1,3-Dichloropropene are: (1)ACD/LogP: 2.01; (2)ACD/LogD (pH 5.5): 2.01; (3)ACD/LogD (pH 7.4): 2.01; (4)ACD/BCF (pH 5.5): 19.94; (5)ACD/BCF (pH 7.4): 19.94; (6)ACD/KOC (pH 5.5): 296.5; (7)ACD/KOC (pH 7.4): 296.5; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.456; (10)Molar Refractivity: 25.7 cm3; (11)Molar Volume: 94.4 cm3; (12)Polarizability: 10.18×10-24cm3; (13)Surface Tension: 27.1 dyne/cm; (14)Density: 1.175 g/cm3; (15)Flash Point: 27.8 °C; (16)Enthalpy of Vaporization: 33.28 kJ/mol; (17)Boiling Point: 108.4 °C at 760 mmHg; (18)Vapour Pressure: 30.4 mmHg at 25°C.

Uses of 1,3-Dichloropropene: it can be used to produce trichloro-(3-chloro-allyl)-silane. It will need reagent trichlorosilane. The yield is about 76%.

When you are using this chemical, please be cautious about it as the following:
It is flammable and harmful by inhalation, in contact with skin and if swallowed. Itmay cause sensitisation by skin contact and very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and gloves. This material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl[C@H]=CCCl
(2)InChI: InChI=1/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+
(3)InChIKey: UOORRWUZONOOLO-OWOJBTEDBJ
(4)Std. InChI: InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+
(5)Std. InChIKey: UOORRWUZONOOLO-OWOJBTEDSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LCLo inhalation 400ppm/7H (400ppm)   American Industrial Hygiene Association Journal. Vol. 38, Pg. 217, 1977.
mouse LC50 inhalation 4650mg/m3/2H (4650mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 48, 1982.
mouse LD50 oral 640mg/kg (640mg/kg)   Fundamental and Applied Toxicology. Vol. 8, Pg. 562, 1987.
rabbit LD50 skin 504mg/kg (504mg/kg)   Dow Chemical Company Reports. Vol. MSD-405,
rat LCLo inhalation 1000ppm/2H (1000ppm) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE American Industrial Hygiene Association Journal. Vol. 38, Pg. 217, 1977.
rat LD50 intraperitoneal 175mg/kg (175mg/kg)   Toxicologist. Vol. 5, Pg. 2, 1985.
rat LD50 oral 470mg/kg (470mg/kg)   Dow Chemical Company Reports. Vol. MSD-405,
rat LD50 skin 775mg/kg (775mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C103, 1991.

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