Product Name

  • Name

    3-Chloropropionic acid

  • EINECS 203-534-4
  • CAS No. 107-94-8
  • Article Data98
  • CAS DataBase
  • Density 1.29 g/cm3
  • Solubility Soluble in water, ethanol, chloroform, miscible with ether
  • Melting Point 37-41 °C
  • Formula C3H5ClO2
  • Boiling Point 199 °C at 760 mmHg
  • Molecular Weight 108.525
  • Flash Point 66.9 °C
  • Transport Information UN 3261 8/PG 2
  • Appearance White to beige crystalline low melting mass
  • Safety 26-36/37/39-45
  • Risk Codes 35-34-21/22
  • Molecular Structure Molecular Structure of 107-94-8 (3-Chloropropionic acid)
  • Hazard Symbols CorrosiveC
  • Synonyms Propionicacid, 3-chloro- (7CI,8CI);Propionic acid, b-chloro- (2CI);b-Monochloropropionic acid;NSC 174;NSC 2183;b-Chloropropionic acid;
  • PSA 37.30000
  • LogP 0.69990

Synthetic route

3-Chloropropionitrile
542-76-7

3-Chloropropionitrile

chloropropionic acid
107-94-8

chloropropionic acid

Conditions
ConditionsYield
With benzene-1,2-dicarboxylic acid for 0.75h; microwave irradiation;91%
With benzene-1,2-dicarboxylic acid at 240℃; under 3040 Torr; for 1h;72%
With hydrogenchloride
With water In dimethyl sulfoxide at 26℃; for 72h; pH=7; aq. phosphate buffer;25 %Chromat.
2-chloropropionyl chloride
625-36-5

2-chloropropionyl chloride

benzylamine
100-46-9

benzylamine

A

chloropropionic acid
107-94-8

chloropropionic acid

B

N-benzylacrylamide
13304-62-6

N-benzylacrylamide

C

Beclamide
501-68-8

Beclamide

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 100℃; for 0.0833333h; Temperature; Concentration;A 6%
B 5%
C 89%
2-chloropropionyl chloride
625-36-5

2-chloropropionyl chloride

benzylamine
100-46-9

benzylamine

A

chloropropionic acid
107-94-8

chloropropionic acid

B

Beclamide
501-68-8

Beclamide

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 50℃; for 0.0166667h; Time;A 22%
B 78%
propionic acid
802294-64-0

propionic acid

A

3-Bromopropionic acid
590-92-1

3-Bromopropionic acid

B

chloropropionic acid
107-94-8

chloropropionic acid

C

2-Bromopropionic acid
598-72-1

2-Bromopropionic acid

D

(R,S)-2-chloropropionic acid
598-78-7

(R,S)-2-chloropropionic acid

Conditions
ConditionsYield
With hydrogenchloride; oxygen; potassium bromide; sodium nitrite In chloroform; water at 40℃; under 760.051 Torr; for 18h; Sealed tube; Irradiation;A 65%
B n/a
C 23%
D n/a
acrylic acid
79-10-7

acrylic acid

chloropropionic acid
107-94-8

chloropropionic acid

Conditions
ConditionsYield
With hydrogenchloride at 65 - 70℃; for 4h;32.3%
With hydrogenchloride
With hydrogenchloride at 12℃;
β-Propiolactone
57-57-8

β-Propiolactone

benzylmagnesium chloride
6921-34-2

benzylmagnesium chloride

A

chloropropionic acid
107-94-8

chloropropionic acid

B

4-Phenylbutyric acid
1821-12-1

4-Phenylbutyric acid

β-Propiolactone
57-57-8

β-Propiolactone

chloropropionic acid
107-94-8

chloropropionic acid

Conditions
ConditionsYield
With hydrogenchloride; sodium chloride at 30 - 45℃;
With hydrogenchloride
3-chloropropanaldehyde
19434-65-2

3-chloropropanaldehyde

chloropropionic acid
107-94-8

chloropropionic acid

Conditions
ConditionsYield
With nitric acid
With nitric acid
3-iodopropanoic acid
141-76-4

3-iodopropanoic acid

chloropropionic acid
107-94-8

chloropropionic acid

Conditions
ConditionsYield
With chlorine
1,1,1,3-tetrachloropropane
1070-78-6

1,1,1,3-tetrachloropropane

chloropropionic acid
107-94-8

chloropropionic acid

Conditions
ConditionsYield
With sulfuric acid
propionyl chloride
79-03-8

propionyl chloride

propionic acid
802294-64-0

propionic acid

chloropropionic acid
107-94-8

chloropropionic acid

Conditions
ConditionsYield
at 75 - 80℃; unter Belichtung;
propionic acid
802294-64-0

propionic acid

chloropropionic acid
107-94-8

chloropropionic acid

Conditions
ConditionsYield
With tetrachloromethane; sulfuryl dichloride; dibenzoyl peroxide
With chlorine at 400℃; in der Dampfphase;
With tetrachloromethane; sulfuryl dichloride; dibenzoyl peroxide
With chlorine at 120℃; in fluessiges Phase;
With chlorine at 30 - 60℃; unter Belichtung;
propionic acid
802294-64-0

propionic acid

A

chloropropionic acid
107-94-8

chloropropionic acid

B

(R,S)-2-chloropropionic acid
598-78-7

(R,S)-2-chloropropionic acid

Conditions
ConditionsYield
With chlorine Irradiation.im UV-Licht;
With hydrogenchloride Electrolysis.an einer Platinanode;
With hydrogenchloride Electrolysis.an Platinanode;
propionic acid
802294-64-0

propionic acid

A

chloropropionic acid
107-94-8

chloropropionic acid

B

2,3-dichloropropanoic acid
565-64-0

2,3-dichloropropanoic acid

C

(R,S)-2-chloropropionic acid
598-78-7

(R,S)-2-chloropropionic acid

Conditions
ConditionsYield
beim Chlorieren in der fluessigen Phase unter Belichtung;
acrylonitrile
107-13-1

acrylonitrile

chloropropionic acid
107-94-8

chloropropionic acid

Conditions
ConditionsYield
With hydrogenchloride bei Siedetemperatur;
3-Hydroxypropionitrile
109-78-4

3-Hydroxypropionitrile

chloropropionic acid
107-94-8

chloropropionic acid

Conditions
ConditionsYield
With hydrogenchloride
With hydrogenchloride at 100℃;
With hydrogenchloride und Kochen des Reaktionsgemisches unter weiterem Durchleiten von Chlorwasserstoff;
With hydrogenchloride; water und Kochen des Reaktionsgemisches unter weiterem Durchleiten von Chlorwasserstoff;
2-chloropropionyl chloride
625-36-5

2-chloropropionyl chloride

chloropropionic acid
107-94-8

chloropropionic acid

Conditions
ConditionsYield
With hydrogenchloride
1-chloro-3-hydroxypropane
627-30-5

1-chloro-3-hydroxypropane

chloropropionic acid
107-94-8

chloropropionic acid

Conditions
ConditionsYield
With nitric acid
With alkaline KMNO4
With nitric acid
With oxygen; sodium hydroxide In water at 60℃; under 8258.9 Torr; Kinetics; Autoclave;
3-hydroxypropionic acid
503-66-2

3-hydroxypropionic acid

chloropropionic acid
107-94-8

chloropropionic acid

Conditions
ConditionsYield
With hydrogenchloride at 120℃;
3-Bromopropionic acid
590-92-1

3-Bromopropionic acid

chloropropionic acid
107-94-8

chloropropionic acid

Conditions
ConditionsYield
With lithium chloride In dimethyl sulfoxide at 100℃; for 6h;
3-chloroperpropionic acid
40861-09-4

3-chloroperpropionic acid

chloropropionic acid
107-94-8

chloropropionic acid

Conditions
ConditionsYield
With benzonitrile; (5,10,15,20-tetraphenylporphyrinato)manganese(III) chloride at 30℃; Rate constant;
3,12-bis(3'-bromo-1'-oxopropyl)-3,12-diaza-6,9-diazoniadispiro<5.2.5.2>hexadecane dichloride
86641-76-1

3,12-bis(3'-bromo-1'-oxopropyl)-3,12-diaza-6,9-diazoniadispiro<5.2.5.2>hexadecane dichloride

A

3-Bromopropionic acid
590-92-1

3-Bromopropionic acid

B

chloropropionic acid
107-94-8

chloropropionic acid

C

3,12-bis(3'-chloro-1'-oxopropyl)-3,12-diaza-6,9-diazoniadispiro<5.2.5.2>hexadecane dibromide
121051-82-9

3,12-bis(3'-chloro-1'-oxopropyl)-3,12-diaza-6,9-diazoniadispiro<5.2.5.2>hexadecane dibromide

D

3,12-Bisacrylyl-3,12-diaza-6,9-diazoniadispiro<5,2,5,2>hexadecane dichloride
95461-34-0

3,12-Bisacrylyl-3,12-diaza-6,9-diazoniadispiro<5,2,5,2>hexadecane dichloride

E

3,12-bis(3'-hydroxy-1'-oxopropyl)-3,12-diaza-6,9-diazoniadispiro<5.2.5.2>hexadecane dichloride
122842-21-1

3,12-bis(3'-hydroxy-1'-oxopropyl)-3,12-diaza-6,9-diazoniadispiro<5.2.5.2>hexadecane dichloride

F

3-hydroxypropionic acid
503-66-2

3-hydroxypropionic acid

Conditions
ConditionsYield
In water at 70℃; for 5h; Product distribution; Kinetics; Rate constant; various time; other temperature;
ethyl 3-chloropropanoate
623-71-2

ethyl 3-chloropropanoate

A

chloropropionic acid
107-94-8

chloropropionic acid

B

ethene
74-85-1

ethene

Conditions
ConditionsYield
In gas at 360 - 420℃; under 49 - 209 Torr; Rate constant; Kinetics; Thermodynamic data; E(act);
4,4'-Di-tert-butyldiphenyliodonium chloride
5421-53-4

4,4'-Di-tert-butyldiphenyliodonium chloride

A

chloropropionic acid
107-94-8

chloropropionic acid

B

tert-butylbenzene
253185-03-4, 253185-04-5

tert-butylbenzene

C

1-tert-butyl-4-iodobenzene
35779-04-5

1-tert-butyl-4-iodobenzene

D

4-(tert-butyl)chlorobenzene
3972-56-3

4-(tert-butyl)chlorobenzene

Conditions
ConditionsYield
With (+)-cis-dioxolane; 2,2'-azobis(isobutyronitrile) at 75℃; for 7h; Product distribution; Quantum yield; various reaction conditions; also photochemical reaction;
1,3-Dichloropropane
142-28-9

1,3-Dichloropropane

chloropropionic acid
107-94-8

chloropropionic acid

Conditions
ConditionsYield
Product distribution; dehalogenation; P. butanovora strain ml-15; aerobic condition; other bacterium strains; other halogeno alkanes;
3-Chloro-propionic acid 1-phenoxy-ethyl ester

3-Chloro-propionic acid 1-phenoxy-ethyl ester

A

chloropropionic acid
107-94-8

chloropropionic acid

B

acetaldehyde
75-07-0

acetaldehyde

C

phenol
108-95-2

phenol

Conditions
ConditionsYield
With water In acetonitrile Rate constant; var. pH;
β-Propiolactone
57-57-8

β-Propiolactone

water
7732-18-5

water

NaCl

NaCl

chloropropionic acid
107-94-8

chloropropionic acid

hydrogenchloride
7647-01-0

hydrogenchloride

acrylonitrile
107-13-1

acrylonitrile

chloropropionic acid
107-94-8

chloropropionic acid

hydrogenchloride
7647-01-0

hydrogenchloride

3-Hydroxypropionitrile
109-78-4

3-Hydroxypropionitrile

chloropropionic acid
107-94-8

chloropropionic acid

Conditions
ConditionsYield
at 100℃;
bei nachfolgenden Kochen unter weiterem Durchleiten von Chlorwasserstoff;analog verlauft die Einw. von Bromwasserstoff u Jodwasserstoff;
Conditions
ConditionsYield
Stage #1: chloropropionic acid With (chloro-phenylthio-methylene)dimethylammonium chloride In dichloromethane at 0℃; for 0.5h;
Stage #2: 2,4-dimethylcyclohexan-1-ol In dichloromethane at 20℃; for 12h;
100%
chloropropionic acid
107-94-8

chloropropionic acid

2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

3-((2,5-difluorophenyl)thio)propanoic acid
926232-57-7

3-((2,5-difluorophenyl)thio)propanoic acid

Conditions
ConditionsYield
Stage #1: 2,5-Difluorothiophenol With sodium hydroxide In water at 0℃; for 0.0833333h;
Stage #2: chloropropionic acid In water at 70℃;
Stage #3: With hydrogenchloride In water at 0℃;
100%
chloropropionic acid
107-94-8

chloropropionic acid

4-(6-hydroxyhexyl)benzoic acid
137757-24-5

4-(6-hydroxyhexyl)benzoic acid

4-{6-[(3-chloropropionyl)oxy]hexyl}benzoic acid

4-{6-[(3-chloropropionyl)oxy]hexyl}benzoic acid

Conditions
ConditionsYield
With toluene-4-sulfonic acid In dichloromethane at 50℃; for 18h; Dean-Stark;100%
chloropropionic acid
107-94-8

chloropropionic acid

ethanol
64-17-5

ethanol

ethyl 3-chloropropanoate
623-71-2

ethyl 3-chloropropanoate

Conditions
ConditionsYield
hydrogenchloride In water for 8h; Product distribution / selectivity;99%
With hydrogenchloride
With sulfuric acid
With sulfuric acid
chloropropionic acid
107-94-8

chloropropionic acid

3-chloropropanoic anhydride
20495-99-2

3-chloropropanoic anhydride

Conditions
ConditionsYield
With dicyclohexyl-carbodiimide In dichloromethane at 20℃; Inert atmosphere; Glovebox;99%
With dicyclohexyl-carbodiimide for 0.0833333h;65 % Spectr.
chloropropionic acid
107-94-8

chloropropionic acid

2-amino-4-chloro-6-methyl-10,10-dioxo-10,11-dihydro-5-oxa-10λ6-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester
887003-12-5

2-amino-4-chloro-6-methyl-10,10-dioxo-10,11-dihydro-5-oxa-10λ6-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester

4-chloro-2-(3-chloro-propylamino)-6-methyl-10,10-dioxo-10,11-dihydro-5-oxa-10λ6-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester
887003-66-9

4-chloro-2-(3-chloro-propylamino)-6-methyl-10,10-dioxo-10,11-dihydro-5-oxa-10λ6-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester

Conditions
ConditionsYield
Stage #1: chloropropionic acid With sodium tetrahydroborate In tetrahydrofuran; benzene at 0 - 20℃; for 1h;
Stage #2: 2-amino-4-chloro-6-methyl-10,10-dioxo-10,11-dihydro-5-oxa-10λ6-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester In tetrahydrofuran; benzene for 3h; Heating / reflux;
99%
chloropropionic acid
107-94-8

chloropropionic acid

3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepine
32943-25-2

3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepine

C17H17Cl2N*ClH

C17H17Cl2N*ClH

Conditions
ConditionsYield
Stage #1: chloropropionic acid With sodium tetrahydroborate In toluene at 0 - 5℃;
Stage #2: 3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepine With sodium tetrahydroborate In toluene at 25 - 80℃; for 7h;
Stage #3: With hydrogenchloride In water; isopropyl alcohol
99%
chloropropionic acid
107-94-8

chloropropionic acid

2-chloropropionyl chloride
625-36-5

2-chloropropionyl chloride

Conditions
ConditionsYield
With bis(trichloromethyl) carbonate In toluene at 25℃; for 8h; Reagent/catalyst; Temperature;98.5%
With thionyl chloride63%
With phosphorus trichloride
chloropropionic acid
107-94-8

chloropropionic acid

4-Chlororesorcinol
95-88-5

4-Chlororesorcinol

3-chloro-1-(5-chloro-2,4-dihydroxyphenyl)propan-1-one
1202889-56-2

3-chloro-1-(5-chloro-2,4-dihydroxyphenyl)propan-1-one

Conditions
ConditionsYield
Stage #1: 4-Chlororesorcinol With trifluorormethanesulfonic acid at 4 - 10℃;
Stage #2: chloropropionic acid at 10 - 55℃; Product distribution / selectivity;
98.4%
Stage #1: 4-Chlororesorcinol With trifluorormethanesulfonic acid at 4 - 10℃;
Stage #2: chloropropionic acid at 10 - 55℃; Product distribution / selectivity;
98.4%
1-methyl-1H-imidazole
616-47-7

1-methyl-1H-imidazole

chloropropionic acid
107-94-8

chloropropionic acid

1-(2-hydroxycarbonyl)ethyl-3-methyl-3H-imidazolium chloride

1-(2-hydroxycarbonyl)ethyl-3-methyl-3H-imidazolium chloride

Conditions
ConditionsYield
at 70℃; for 50h;98%
In toluene for 5h; Reflux; Inert atmosphere;86%
In toluene Schlenk technique;80%
In ethyl acetate at 70℃; for 24h;
chloropropionic acid
107-94-8

chloropropionic acid

1-azaphenothiazine
261-96-1

1-azaphenothiazine

10-(3-chloropropyl)-10H-benzo[b]pyrido[2,3-e][1,4]thiazine hydrochloride

10-(3-chloropropyl)-10H-benzo[b]pyrido[2,3-e][1,4]thiazine hydrochloride

Conditions
ConditionsYield
Stage #1: chloropropionic acid With sodium tetrahydroborate In toluene at 0 - 5℃;
Stage #2: 1-azaphenothiazine With sodium tetrahydroborate In toluene at 25 - 75℃; for 6h;
Stage #3: With hydrogenchloride In water; isopropyl alcohol
98%
chloropropionic acid
107-94-8

chloropropionic acid

para-thiocresol
106-45-6

para-thiocresol

3-[(4-methylphenyl)thio]propionic acid
13739-35-0

3-[(4-methylphenyl)thio]propionic acid

Conditions
ConditionsYield
With sodium hydroxide In water for 0.5h; Microwave irradiation;97%
Stage #1: chloropropionic acid; para-thiocresol With potassium hydroxide; potassium carbonate In ethanol Reflux;
Stage #2: With hydrogenchloride In ethanol; water Large scale reaction;
77%
With sodium hydroxide
chloropropionic acid
107-94-8

chloropropionic acid

10H-phenothiazine
92-84-2

10H-phenothiazine

C15H14ClNS*ClH

C15H14ClNS*ClH

Conditions
ConditionsYield
Stage #1: chloropropionic acid With sodium tetrahydroborate In toluene at 0 - 5℃;
Stage #2: 10H-phenothiazine With sodium tetrahydroborate In toluene at 25 - 80℃; for 5h;
Stage #3: With hydrogenchloride In water; isopropyl alcohol
97%
chloropropionic acid
107-94-8

chloropropionic acid

10H-acridin-9-one
578-95-0

10H-acridin-9-one

3-(9-oxo-9,10-dihydro-10-acridinyl)propanoic acid
226424-38-0

3-(9-oxo-9,10-dihydro-10-acridinyl)propanoic acid

Conditions
ConditionsYield
With 1-ethyl-3-methylimidazolium hydroxide at 50℃; for 8h; Ionic liquid;95.9%
chloropropionic acid
107-94-8

chloropropionic acid

3-cyano-4-(dimethylformamidyl)-aniline

3-cyano-4-(dimethylformamidyl)-aniline

1-(3-chloropropionyl)-3-cyano-4-(dimethylformamidyl)aniline

1-(3-chloropropionyl)-3-cyano-4-(dimethylformamidyl)aniline

Conditions
ConditionsYield
With 4-methyl-morpholine In tetrahydrofuran at 0 - 5℃; for 1.75h;95.7%
chloropropionic acid
107-94-8

chloropropionic acid

4-sulfanylphenol
637-89-8

4-sulfanylphenol

3-[(4-hydroxyphenyl)sulfanyl]propanoic acid
30512-65-3

3-[(4-hydroxyphenyl)sulfanyl]propanoic acid

Conditions
ConditionsYield
With sodium hydroxide In water at 100℃; for 3h;95%
With potassium hydroxide In water at 80℃; for 2.5h; pH=12;
chloropropionic acid
107-94-8

chloropropionic acid

5-fluorobenzo[d]oxazole-2-thiol
13451-78-0

5-fluorobenzo[d]oxazole-2-thiol

3-((5-fluorobenzo[d]oxazol-2-yl)thio)propanoic acid

3-((5-fluorobenzo[d]oxazol-2-yl)thio)propanoic acid

Conditions
ConditionsYield
With caesium carbonate In acetonitrile at 100℃; for 1h; Microwave irradiation;95%
chloropropionic acid
107-94-8

chloropropionic acid

thiophenol
108-98-5

thiophenol

acide phenylthio-3 propanoique
5219-65-8

acide phenylthio-3 propanoique

Conditions
ConditionsYield
Stage #1: thiophenol With sodium hydroxide In water at 20℃;
Stage #2: chloropropionic acid In water for 4h; Reflux;
Stage #3: With hydrogenchloride In water at 20℃; pH=< 2;
94%
With potassium carbonate; potassium hydroxide In ethanol; water at 0℃; for 5h; Reflux;70%
Stage #1: chloropropionic acid; thiophenol With potassium hydroxide; potassium carbonate In ethanol Reflux;
Stage #2: With hydrogenchloride In ethanol; water
63%
chloropropionic acid
107-94-8

chloropropionic acid

4-Fluorothiophenol
371-42-6

4-Fluorothiophenol

3-(4-fluorophenylthio)propanoic acid
19543-85-2

3-(4-fluorophenylthio)propanoic acid

Conditions
ConditionsYield
Stage #1: 4-Fluorothiophenol With potassium hydroxide In ethanol; water at 60℃;
Stage #2: chloropropionic acid With potassium carbonate In ethanol; water at 20 - 96℃; for 5.5h;
94%
With potassium carbonate; potassium hydroxide In ethanol; water at 0℃; for 5h; Reflux;92%
Stage #1: chloropropionic acid; 4-Fluorothiophenol With potassium hydroxide; potassium carbonate In ethanol Reflux;
Stage #2: With hydrogenchloride In ethanol; water
90%
chloropropionic acid
107-94-8

chloropropionic acid

N,0-dimethylhydroxylamine
1117-97-1

N,0-dimethylhydroxylamine

3-chloro-N-methoxy-N-methylpropanamide
1062512-53-1

3-chloro-N-methoxy-N-methylpropanamide

Conditions
ConditionsYield
Stage #1: chloropropionic acid; N,0-dimethylhydroxylamine In toluene at 0℃; for 0.166667h;
Stage #2: With phosphorus trichloride In toluene at 20 - 60℃; for 0.5h;
94%
chloropropionic acid
107-94-8

chloropropionic acid

triphenylphosphine
603-35-0

triphenylphosphine

(2-carboxyethyl)triphenylphosphonium chloride
36626-29-6

(2-carboxyethyl)triphenylphosphonium chloride

Conditions
ConditionsYield
In toluene at 110℃; for 18h;93%
In xylene for 18h; Heating;89%
In 5,5-dimethyl-1,3-cyclohexadiene; water for 4h; Reflux;84%
chloropropionic acid
107-94-8

chloropropionic acid

recorcinol
108-46-3

recorcinol

2',4'-dihydroxy-3-chloropropiophenone
151884-07-0

2',4'-dihydroxy-3-chloropropiophenone

Conditions
ConditionsYield
With trifluorormethanesulfonic acid at 80℃; for 1h;92%
With trifluorormethanesulfonic acid at 80℃; for 1h;90%
With trifluorormethanesulfonic acid at 85℃; for 0.75h;86%
chloropropionic acid
107-94-8

chloropropionic acid

C6H18N3O3P
1062512-43-9

C6H18N3O3P

3-chloro-N-methoxy-N-methylpropanamide
1062512-53-1

3-chloro-N-methoxy-N-methylpropanamide

Conditions
ConditionsYield
In toluene at 60℃;92%
chloropropionic acid
107-94-8

chloropropionic acid

N-[2-((2-S-(4-methoxybenzyl)sulfanyl)ethyl)amino]acetyl-S-(4-methoxybenzyl)-2-aminoethanethiol
202582-35-2

N-[2-((2-S-(4-methoxybenzyl)sulfanyl)ethyl)amino]acetyl-S-(4-methoxybenzyl)-2-aminoethanethiol

C25H34N2O5S2

C25H34N2O5S2

Conditions
ConditionsYield
With triethylamine In acetonitrile at 80℃;92%
chloropropionic acid
107-94-8

chloropropionic acid

8-amino-6-(4-aminophenyl)-2-phenyl-1,2,4-triazolo[4,3-a]pyrazin-3(2H)-one

8-amino-6-(4-aminophenyl)-2-phenyl-1,2,4-triazolo[4,3-a]pyrazin-3(2H)-one

N-(4-(8-amino-3-oxo-2-phenyl-2,3-dihydro-1,2,4-triazolo-[4,3-a]pyrazin-6-yl)phenyl)acrylamide

N-(4-(8-amino-3-oxo-2-phenyl-2,3-dihydro-1,2,4-triazolo-[4,3-a]pyrazin-6-yl)phenyl)acrylamide

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide at 20℃; for 2h;92%
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide at 20℃;22%
chloropropionic acid
107-94-8

chloropropionic acid

2-((trifluoromethyl)thio)benzo[d]isothiazol-3(2H)-one 1,1-dioxide

2-((trifluoromethyl)thio)benzo[d]isothiazol-3(2H)-one 1,1-dioxide

cyclohexene
110-83-8

cyclohexene

2-((trifluoromethyl)thio)cyclohexyl 3-chloropropanoate

2-((trifluoromethyl)thio)cyclohexyl 3-chloropropanoate

Conditions
ConditionsYield
With trifluorormethanesulfonic acid; bis(4-methoxyphenyl)selenide In hexane at 20℃; for 24h; Sealed tube;91%
pyridine
110-86-1

pyridine

chloropropionic acid
107-94-8

chloropropionic acid

1-(2-carboxy-ethyl)-pyridinium; chloride
15168-37-3

1-(2-carboxy-ethyl)-pyridinium; chloride

Conditions
ConditionsYield
at 70 - 80℃;90%
chloropropionic acid
107-94-8

chloropropionic acid

Diphenylphosphine oxide
4559-70-0

Diphenylphosphine oxide

3-(diphenyl-phosphinoyl)-propionic acid
29874-10-0

3-(diphenyl-phosphinoyl)-propionic acid

Conditions
ConditionsYield
With potassium hydroxide In dimethyl sulfoxide at 50℃; for 1h;90%
(i) NaOEt, EtOH, (ii) /BRN= 1098495/; Multistep reaction;

3-Chloropropionic acid Consensus Reports

Reported in EPA TSCA Inventory.

3-Chloropropionic acid Specification

The 3-Chloropropionic acid with CAS registry number of 107-94-8 is also known as Propanoic acid,3-chloro-. The IUPAC name and product name are the same. It belongs to product categories of omega-Chlorocarboxylic Acids; omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; C1 to C5; Carbonyl Compounds; Carboxylic Acids. Its EINECS registry number is 203-534-4. In addition, the formula is C3H5ClO2 and the molecular weight is 108.52. This chemical is a white to beige crystalline low melting mass that soluble in water. It may destroy living tissue on contact and should be sealed in ventilated, cool room away from fire, heat. What's more, this chemical is used as intermediate in organic synthesis and also can be used for production of anti-epilepsy drugs.

Physical properties about 3-Chloropropionic acid are: (1)ACD/LogP: 0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.1; (4)ACD/LogD (pH 7.4): -2.83; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.23; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.444; (13)Molar Refractivity: 22.36 cm3; (14)Molar Volume: 84 cm3; (15)Surface Tension: 40.2 dyne/cm; (16)Density: 1.29 g/cm3; (17)Flash Point: 66.9 °C; (18)Enthalpy of Vaporization: 47.97 kJ/mol; (19)Boiling Point: 199 °C at 760 mmHg; (20)Vapour Pressure: 0.147 mmHg at 25 °C.

Preparation of 3-Chloropropionic acid: it is prepared by reaction of acrylic acid. The reaction needs reagent conc. aq. HCl at the temperature of 65 - 70 °C for 4 hours. The yield is about 32.3 %.

3-Chloropropionic acid is prepared by reaction of acrylic acid.

Uses of 3-Chloropropionic acid: it is used to produce 3-diphenylphosphinylpropionsaeure by reaction with diphenylphosphane oxide. The reaction occurs with reagent aq. KOH and solvent dimethylsulfoxide at the temperature of 50 °C for 1 hour. The yield is about 90 %.

3-Chloropropionic acid is used to produce 3-diphenylphosphinylpropionsaeure by reaction with diphenylphosphane oxide.

When you are using this chemical, please be cautious about it. As a chemical, it is harmful in contact with skin and if swallowed. Furthermore, it causes severe burns. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C(CCl)C(=O)O
2. InChI: InChI=1S/C3H5ClO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)
3. InChIKey: QEYMMOKECZBKAC-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo skin 1040mg/kg (1040mg/kg)   Cancer Research. Vol. 28, Pg. 653, 1968.

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