Product Name

  • Name

    Chloral hydrate

  • EINECS 206-117-5
  • CAS No. 302-17-0
  • Article Data27
  • CAS DataBase
  • Density 1.814 g/cm3
  • Solubility 660 g/100ml in water
  • Melting Point 57 °C(lit.)
  • Formula C2H3Cl3O2
  • Boiling Point 96.3 °C at 760 mmHg
  • Molecular Weight 165.404
  • Flash Point 57.3 °C
  • Transport Information UN 3286 3/PG 2
  • Appearance colourless crystals with a pentrating odour
  • Safety 26-45-25-23-36/37-16-27
  • Risk Codes 25-36/38-39/23/24/25-23/24/25-11-36/37/38
  • Molecular Structure Molecular Structure of 302-17-0 (Chloral hydrate)
  • Hazard Symbols ToxicT, FlammableF
  • Synonyms Chloralhydrate (8CI);1,1,1-Trichloro-2,2-dihydroxyethane;2,2,2-Trichloro-1,1-ethanediol;Bi 3411;Chloral, monohydrate;Chloraldurat;TCA;
  • PSA 40.46000
  • LogP 0.66730

Synthetic route

chloral
75-87-6

chloral

chloral hydrate
302-17-0

chloral hydrate

Conditions
ConditionsYield
In tetrachloromethane45%
With water Thermodynamic data; ΔH;
With water
In water
N,N-dichloro-p-toluenesulfonamide
473-34-7

N,N-dichloro-p-toluenesulfonamide

Trichloroethylene
79-01-6

Trichloroethylene

A

chloral hydrate
302-17-0

chloral hydrate

B

N-(2,2,2-trichloro-1-hydroxyethyl)4-methylbenzenesulfonamide
83790-89-0

N-(2,2,2-trichloro-1-hydroxyethyl)4-methylbenzenesulfonamide

C

N-(2,2,2-trichloro-1-p-toluenesulfonamidoethyl)-p-toluenesulfonamide
93018-67-8

N-(2,2,2-trichloro-1-p-toluenesulfonamidoethyl)-p-toluenesulfonamide

D

toluene-4-sulfonamide
70-55-3

toluene-4-sulfonamide

Conditions
ConditionsYield
With water; tin(IV) chloride at 20 - 22℃; for 1560h; Product distribution; other time, temperature, Lewis acid (AlCl3);A .11 g
B 37.9%
C 2.7%
D 2.9%
ethanol
64-17-5

ethanol

chloral hydrate
302-17-0

chloral hydrate

Conditions
ConditionsYield
With water; chlorine
chloroacetylene
593-63-5

chloroacetylene

chloral hydrate
302-17-0

chloral hydrate

Conditions
ConditionsYield
With sodium hypochlorite; water; boric acid
benzoic acid hydrazide
613-94-5

benzoic acid hydrazide

A

chloral hydrate
302-17-0

chloral hydrate

B

benzoic acid-[N'-(2,2,2-trichloro-1-hydroxy-ethyl)-hydrazide]

benzoic acid-[N'-(2,2,2-trichloro-1-hydroxy-ethyl)-hydrazide]

acetaldehyde
75-07-0

acetaldehyde

chloral hydrate
302-17-0

chloral hydrate

Conditions
ConditionsYield
With water Chlorieren;
paracetaldehyde
123-63-7

paracetaldehyde

chloral hydrate
302-17-0

chloral hydrate

Conditions
ConditionsYield
With water Chlorieren;
2-chloro-ethanol
107-07-3

2-chloro-ethanol

chloral hydrate
302-17-0

chloral hydrate

Conditions
ConditionsYield
With water; chlorine at 90℃;
With water; iodine; chlorine at 90℃;
formic acid ethyl ester
109-94-4

formic acid ethyl ester

chloral hydrate
302-17-0

chloral hydrate

Conditions
ConditionsYield
With sulfuryl dichloride at 170℃;
chloral
75-87-6

chloral

2,2-Dihydroxy-3-oxo-pent-4-enoic acid tert-butyl ester
147624-92-8

2,2-Dihydroxy-3-oxo-pent-4-enoic acid tert-butyl ester

A

chloral hydrate
302-17-0

chloral hydrate

B

2,3-Dioxo-pent-4-enoic acid tert-butyl ester
117917-40-5

2,3-Dioxo-pent-4-enoic acid tert-butyl ester

Conditions
ConditionsYield
In acetone Equilibrium constant; Thermodynamic data; ΔH;
water
7732-18-5

water

chloral
75-87-6

chloral

chloral hydrate
302-17-0

chloral hydrate

sulfuryl dichloride
7791-25-5

sulfuryl dichloride

formic acid ethyl ester
109-94-4

formic acid ethyl ester

chloral hydrate
302-17-0

chloral hydrate

Conditions
ConditionsYield
at 170℃;
chloroacetylene
593-63-5

chloroacetylene

water
7732-18-5

water

metaboric acid
13460-50-9

metaboric acid

sodium hypochlorite

sodium hypochlorite

A

chloral hydrate
302-17-0

chloral hydrate

B

chloroacetic acid
79-11-8

chloroacetic acid

C

dichloroacetaldehyde hydrate

dichloroacetaldehyde hydrate

acetic acid-[4-(2,2,2-trichloro-1-hydroxy-ethoxy)-anilide]
15687-05-5

acetic acid-[4-(2,2,2-trichloro-1-hydroxy-ethoxy)-anilide]

water
7732-18-5

water

A

chloral hydrate
302-17-0

chloral hydrate

B

4-acetaminophenol
103-90-2

4-acetaminophenol

2,2-diphenyl-1-(2,2,2-trichloro-ethylidenamino)-ethanol

2,2-diphenyl-1-(2,2,2-trichloro-ethylidenamino)-ethanol

diluted aq.-ethanolic hydrochloric acid

diluted aq.-ethanolic hydrochloric acid

A

chloral hydrate
302-17-0

chloral hydrate

B

(2,2-diphenyl-ethylidene)-(2,2-diphenyl-vinyl)-amine
102603-74-7

(2,2-diphenyl-ethylidene)-(2,2-diphenyl-vinyl)-amine

1-bornyloxy-2,2,2-trichloro-ethanol
20752-32-3

1-bornyloxy-2,2,2-trichloro-ethanol

water
7732-18-5

water

A

chloral hydrate
302-17-0

chloral hydrate

rac-endo-borneol
6627-72-1

rac-endo-borneol

Conditions
ConditionsYield
chloral-l-borneolate;
chloral-d-borneolate;
Trichloroethylene
79-01-6

Trichloroethylene

medaka liver microsomes

medaka liver microsomes

A

1,1,1-trichloroethanol
115-20-8

1,1,1-trichloroethanol

B

chloral hydrate
302-17-0

chloral hydrate

C

trichloroacetic acid
76-03-9

trichloroacetic acid

Conditions
ConditionsYield
In acetone at 37℃; for 1h; Enzyme kinetics; Oxidation; hydroxylation; Enzymatic reaction;
N-(2,2,2-trichloro-1-p-toluenesulfonamidoethyl)-p-toluenesulfonamide
93018-67-8

N-(2,2,2-trichloro-1-p-toluenesulfonamidoethyl)-p-toluenesulfonamide

A

chloral hydrate
302-17-0

chloral hydrate

B

toluene-4-sulfonamide
70-55-3

toluene-4-sulfonamide

Conditions
ConditionsYield
With sodium hydroxide at 20℃; for 0.5h; Product distribution;
N-(2,2,2-trichloro-1-hydroxyethyl)benzenesulfonamide
75457-08-8

N-(2,2,2-trichloro-1-hydroxyethyl)benzenesulfonamide

A

benzenesulfonamide
98-10-2

benzenesulfonamide

B

chloral hydrate
302-17-0

chloral hydrate

Conditions
ConditionsYield
With sodium hydroxide at 20℃; for 0.5h; Product distribution;
N-(2,2,2-trichloro-1-p-chlorobenzenesulfonamidoethyl)-p-chlorobenzenesulfonamide
107905-40-8

N-(2,2,2-trichloro-1-p-chlorobenzenesulfonamidoethyl)-p-chlorobenzenesulfonamide

A

4-Chlorobenzenesulfonamide
98-64-6

4-Chlorobenzenesulfonamide

B

chloral hydrate
302-17-0

chloral hydrate

Conditions
ConditionsYield
With sodium hydroxide at 20℃; for 0.5h; Product distribution;
N-(2,2,2-trichloro-1-benzenesulfonamidoethyl)benzenesulfonamide
85095-84-7

N-(2,2,2-trichloro-1-benzenesulfonamidoethyl)benzenesulfonamide

A

benzenesulfonamide
98-10-2

benzenesulfonamide

B

chloral hydrate
302-17-0

chloral hydrate

Conditions
ConditionsYield
With sodium hydroxide at 20℃; for 0.5h; Product distribution;
L-alanin
56-41-7

L-alanin

A

α-picoline
109-06-8

α-picoline

B

chloral hydrate
302-17-0

chloral hydrate

C

2-ethylideneamino propanoic acid

2-ethylideneamino propanoic acid

D

cyclo(-DL-Ala-DL-Ala-)
5625-46-7

cyclo(-DL-Ala-DL-Ala-)

Conditions
ConditionsYield
With copper dichloride at 250℃; for 0.00555556h; Pyrolysis; Inert atmosphere;

A

α-picoline
109-06-8

α-picoline

B

chloral hydrate
302-17-0

chloral hydrate

C

2-ethylideneamino propanoic acid

2-ethylideneamino propanoic acid

D

cyclo(-DL-Ala-DL-Ala-)
5625-46-7

cyclo(-DL-Ala-DL-Ala-)

Conditions
ConditionsYield
at 250℃; for 0.00555556h; Pyrolysis; Inert atmosphere;
(2S)-2-(6-methoxy(2-naphthyl))propanoic acid
22204-53-1

(2S)-2-(6-methoxy(2-naphthyl))propanoic acid

A

chloral hydrate
302-17-0

chloral hydrate

B

chloroform
67-66-3

chloroform

C

1,1-Dichloroacetone
513-88-2

1,1-Dichloroacetone

D

1,1,1-trichloroacetone
918-00-3

1,1,1-trichloroacetone

Conditions
ConditionsYield
With chlorine In aq. phosphate buffer pH=7; Kinetics; pH-value; UV-irradiation;
chloral hydrate
302-17-0

chloral hydrate

1,1-dimethylethylurea
1118-12-3

1,1-dimethylethylurea

N-tert-butyl-N'-(2,2,2-trichloro-1-hydroxyethyl)urea
96010-48-9

N-tert-butyl-N'-(2,2,2-trichloro-1-hydroxyethyl)urea

Conditions
ConditionsYield
With hydrogenchloride In water for 15h;100%
chloral hydrate
302-17-0

chloral hydrate

1-[2-(3,4-Dichloro-phenyl)-ethyl]-[1,4]diazepane
150208-33-6

1-[2-(3,4-Dichloro-phenyl)-ethyl]-[1,4]diazepane

1-<2-(3,4-dichlorophenyl)ethyl>-4-formylhomopiperazine
150208-82-5

1-<2-(3,4-dichlorophenyl)ethyl>-4-formylhomopiperazine

Conditions
ConditionsYield
In toluene at 90℃; for 1.5h;100%
chloral hydrate
302-17-0

chloral hydrate

4-propylaniline
2696-84-6

4-propylaniline

5-Propylisatin
131609-60-4

5-Propylisatin

Conditions
ConditionsYield
Stage #1: chloral hydrate; 4-propylaniline With hydrogenchloride; hydroxylamine hydrochloride; sodium sulfate In water for 0.0166667h; Reflux;
Stage #2: With sulfuric acid at 50 - 80℃;
100%
chloral hydrate
302-17-0

chloral hydrate

ethyl 1-(4-aminophenyl)cyclobutanecarboxylate hydrochloride

ethyl 1-(4-aminophenyl)cyclobutanecarboxylate hydrochloride

ethyl 2-[4-[[2-hydroxyiminoacetyl]amino]phenyl]cyclobutanecarboxylate
1309089-16-4

ethyl 2-[4-[[2-hydroxyiminoacetyl]amino]phenyl]cyclobutanecarboxylate

Conditions
ConditionsYield
Stage #1: chloral hydrate With sodium sulfate In water at 23℃; for 0.166667h;
Stage #2: ethyl 1-(4-aminophenyl)cyclobutanecarboxylate hydrochloride With hydroxylamine hydrochloride In water at 60℃; for 5h;
100%
chloral hydrate
302-17-0

chloral hydrate

3-bromo-2-methylaniline
55289-36-6

3-bromo-2-methylaniline

6-bromo-7-methyl-1H-indole-2,3-dione
129833-54-1

6-bromo-7-methyl-1H-indole-2,3-dione

Conditions
ConditionsYield
Stage #1: chloral hydrate; 3-bromo-2-methylaniline With hydrogenchloride; water; sodium sulfate at 20℃;
Stage #2: With hydroxylamine hydrochloride Reflux;
100%
Stage #1: chloral hydrate; 3-bromo-2-methylaniline With hydrogenchloride; sodium sulfate In water at 20℃;
Stage #2: With hydroxylamine hydrochloride In water Reflux;
100%
chloral hydrate
302-17-0

chloral hydrate

4-fluor-2-methylaniline
452-71-1

4-fluor-2-methylaniline

(2E)-N-(4-fluoro-2-methylphenyl)-2-(N-hydroxyimino)acetamide

(2E)-N-(4-fluoro-2-methylphenyl)-2-(N-hydroxyimino)acetamide

Conditions
ConditionsYield
Stage #1: chloral hydrate; 4-fluor-2-methylaniline With hydrogenchloride; sodium sulfate In water at 20℃;
Stage #2: With hydroxylamine hydrochloride In water Reflux;
100%
With hydroxylamine hydrochloride at 80℃; for 1h;47%
chloral hydrate
302-17-0

chloral hydrate

3-bromo-2-methylaniline
55289-36-6

3-bromo-2-methylaniline

(2E)-N-(3-bromo-2-methyl-phenyl)-2-hydroxyimino-acetamide

(2E)-N-(3-bromo-2-methyl-phenyl)-2-hydroxyimino-acetamide

Conditions
ConditionsYield
Stage #1: chloral hydrate; 3-bromo-2-methylaniline With hydrogenchloride; sodium sulfate In water at 20℃;
Stage #2: With hydroxylamine hydrochloride In water Reflux;
100%
chloral hydrate
302-17-0

chloral hydrate

chloral
75-87-6

chloral

Conditions
ConditionsYield
With phosphorus pentoxide; sulfuric acid99%
With diethyl ether; water; chlorine at 80℃;
With sulfuric acid
chloral hydrate
302-17-0

chloral hydrate

(S)-Malic acid
97-67-6

(S)-Malic acid

(2RS,5S)-5-carboxymethyl-2-trichloromethyl-4-oxo-1,3-dioxolane
196512-77-3

(2RS,5S)-5-carboxymethyl-2-trichloromethyl-4-oxo-1,3-dioxolane

Conditions
ConditionsYield
With sulfuric acid for 10h; Ambient temperature;99%
With sulfuric acid at 20℃; for 3h;93%
With sulfuric acid at 20℃; for 3h; Inert atmosphere;93%
In sulfuric acid at 0 - 20℃;52%
3-bromo-2-fluorobenzenamine
58534-95-5

3-bromo-2-fluorobenzenamine

chloral hydrate
302-17-0

chloral hydrate

N-(3-bromo-2-fluorophenyl)-2-(hydroxyimino)acetamide
1336963-99-5

N-(3-bromo-2-fluorophenyl)-2-(hydroxyimino)acetamide

Conditions
ConditionsYield
With hydrogenchloride; hydroxylamine hydrochloride; sodium sulfate In water at 55 - 90℃; for 3h;99%
Stage #1: 3-bromo-2-fluorobenzenamine; chloral hydrate With hydrogenchloride; sodium sulfate In water at 35℃;
Stage #2: With hydroxylamine hydrochloride at 90℃; for 16h;
61%
Stage #1: chloral hydrate With sodium sulfate In water at 35℃;
Stage #2: 3-bromo-2-fluorobenzenamine With hydrogenchloride; hydroxylamine hydrochloride In water at 90℃; for 16h;
61%
chloral hydrate
302-17-0

chloral hydrate

ethyl 3,5-dimethoxybenzoate
17275-82-0

ethyl 3,5-dimethoxybenzoate

4,6-dimethoxy-3-trichloromethyl-1-benzo[c]furanone
63585-71-7

4,6-dimethoxy-3-trichloromethyl-1-benzo[c]furanone

Conditions
ConditionsYield
With sulfuric acid for 4h;98%
With sulfuric acid
chloral hydrate
302-17-0

chloral hydrate

Propionamid
79-05-0

Propionamid

N-(2,2,2-trichloro-1-hydroxyethyl)propionamide
34243-50-0

N-(2,2,2-trichloro-1-hydroxyethyl)propionamide

Conditions
ConditionsYield
at 90 - 100℃;98%
chloral hydrate
302-17-0

chloral hydrate

Phenyl-phosphonic acid bis-(2,2,3,3,4,4,5,5-octafluoro-pentyl) ester
17792-50-6

Phenyl-phosphonic acid bis-(2,2,3,3,4,4,5,5-octafluoro-pentyl) ester

Phenyl-(2,2,2-trichloro-1-hydroxy-ethyl)-phosphinic acid 2,2,3,3,4,4,5,5-octafluoro-pentyl ester
122348-12-3

Phenyl-(2,2,2-trichloro-1-hydroxy-ethyl)-phosphinic acid 2,2,3,3,4,4,5,5-octafluoro-pentyl ester

Conditions
ConditionsYield
In benzene temp. not higher than 40 deg C;98%
chloral hydrate
302-17-0

chloral hydrate

Phenyl-phosphonic acid bis-(2,2,2-trifluoro-ethyl) ester
172422-37-6

Phenyl-phosphonic acid bis-(2,2,2-trifluoro-ethyl) ester

Phenyl-(2,2,2-trichloro-1-hydroxy-ethyl)-phosphinic acid 2,2,2-trifluoro-ethyl ester
122348-13-4

Phenyl-(2,2,2-trichloro-1-hydroxy-ethyl)-phosphinic acid 2,2,2-trifluoro-ethyl ester

Conditions
ConditionsYield
In benzene temp. not higher than 40 deg C;98%
chloral hydrate
302-17-0

chloral hydrate

2-(4-amino-phenyl)-2-methyl-propionic acid ethyl ester; hydrochloride

2-(4-amino-phenyl)-2-methyl-propionic acid ethyl ester; hydrochloride

ethyl 2-[4-[[(2E)-2-hydroxyiminoacetyl]amino]phenyl]-2-methylpropanoate
1309089-22-2

ethyl 2-[4-[[(2E)-2-hydroxyiminoacetyl]amino]phenyl]-2-methylpropanoate

Conditions
ConditionsYield
Stage #1: chloral hydrate With sodium sulfate In water at 23℃; for 0.166667h;
Stage #2: 2-(4-amino-phenyl)-2-methyl-propionic acid ethyl ester; hydrochloride With hydroxylamine hydrochloride In water at 60℃; for 5h;
98%
chloral hydrate
302-17-0

chloral hydrate

3-Methoxybenzoic acid
586-38-9

3-Methoxybenzoic acid

6-methoxy-3-(trichloromethyl)isobenzofuran-1(3H)-one
82735-28-2

6-methoxy-3-(trichloromethyl)isobenzofuran-1(3H)-one

Conditions
ConditionsYield
With sulfuric acid at 20℃; for 12h;97%
With sulfuric acid at 20℃; for 12h;83.6%
With sulfuric acid at 20℃; for 24h;63%
chloral hydrate
302-17-0

chloral hydrate

N-Methylurea
598-50-5

N-Methylurea

N-methyl-N'-(2,2,2-trichloro-1-hydroxyethyl)urea
1954-79-6

N-methyl-N'-(2,2,2-trichloro-1-hydroxyethyl)urea

Conditions
ConditionsYield
In water for 48h; Substitution;97%
With water
chloral hydrate
302-17-0

chloral hydrate

N,N'-Dimethylurea
96-31-1

N,N'-Dimethylurea

1-methyl-1-(1-hydroxy-2,2,2-trichloroethyl)-3-methyl urea

1-methyl-1-(1-hydroxy-2,2,2-trichloroethyl)-3-methyl urea

Conditions
ConditionsYield
With 3 A molecular sieve In 1,4-dioxane at 70℃; for 168h; Substitution;97%
chloral hydrate
302-17-0

chloral hydrate

2-iodo-[15N]aniline

2-iodo-[15N]aniline

C8H7IN(15)NO2

C8H7IN(15)NO2

Conditions
ConditionsYield
With hydrogenchloride; hydroxylamine hydrochloride; sodium sulfate at 90℃;97%
chloral hydrate
302-17-0

chloral hydrate

chloral hydrate sodium salt

chloral hydrate sodium salt

Conditions
ConditionsYield
With sodium hydride In diethyl ether for 3h;97%
chloral hydrate
302-17-0

chloral hydrate

3-methyl-4-chloroaniline
7149-75-9

3-methyl-4-chloroaniline

N-(4-chloro-3-methylphenyl)-2-(hydroxyimino)acetamide
637347-65-0

N-(4-chloro-3-methylphenyl)-2-(hydroxyimino)acetamide

Conditions
ConditionsYield
With hydrogenchloride; hydroxylamine hydrochloride; sodium sulfate In water at 100℃; for 1h;97%
chloral hydrate
302-17-0

chloral hydrate

3-chloro-5-fluoroaniline hydrochloride
940054-43-3

3-chloro-5-fluoroaniline hydrochloride

N-(3-chloro-5-fluorophenyl)-2-hydroxyimino-acetamide
940054-44-4

N-(3-chloro-5-fluorophenyl)-2-hydroxyimino-acetamide

Conditions
ConditionsYield
With hydroxylamine hydrochloride; sodium sulfate In water at 20℃; for 16.6667h; Heating / reflux;97%
chloral hydrate
302-17-0

chloral hydrate

C14H9F14O2P

C14H9F14O2P

A

2,2,3,3,4,4,4-heptafluorobutanol
375-01-9

2,2,3,3,4,4,4-heptafluorobutanol

B

C12H9Cl3F7O3P
1235818-81-1

C12H9Cl3F7O3P

Conditions
ConditionsYield
In benzene at 30 - 40℃; Abramov reaction; Inert atmosphere;A n/a
B 97%
chloral hydrate
302-17-0

chloral hydrate

2-fluoroaniline hydrochloride
51085-49-5

2-fluoroaniline hydrochloride

N-(2-fluorophenyl)-2-(hydroxyimino)acetamide
349-24-6

N-(2-fluorophenyl)-2-(hydroxyimino)acetamide

Conditions
ConditionsYield
With hydroxylamine hydrochloride; sodium sulfate In water for 0.166667h; Reflux;97%
2-Fluoroaniline
348-54-9

2-Fluoroaniline

chloral hydrate
302-17-0

chloral hydrate

N-(2-Fluorophenyl)-2-hydroxyiminoacetamide
349-24-6

N-(2-Fluorophenyl)-2-hydroxyiminoacetamide

Conditions
ConditionsYield
With hydrogenchloride; hydroxylamine hydrochloride; sodium sulfate In water for 0.166667h; Heating;96%
With hydrogenchloride; hydroxylamine; sodium sulfate
With hydrogenchloride; hydroxylamine hydrochloride; sodium sulfate at 80 - 90℃; for 2h;
Stage #1: 2-Fluoroaniline; chloral hydrate With hydrogenchloride; sodium sulfate In water at 20℃; for 5h;
Stage #2: With hydroxylamine hydrochloride In water at 60℃; for 1h;
chloral hydrate
302-17-0

chloral hydrate

malic acid
617-48-1

malic acid

Chloralide of malic acid
5050-56-6

Chloralide of malic acid

Conditions
ConditionsYield
With sulfuric acid96%
With sulfuric acid at 20℃; -chloralide;
chloral hydrate
302-17-0

chloral hydrate

benzamide
55-21-0

benzamide

N-(2,2,2-trichloro-1-hydroxyethyl)benzamide
6316-07-0

N-(2,2,2-trichloro-1-hydroxyethyl)benzamide

Conditions
ConditionsYield
at 90 - 100℃;96%
Heating;
chloral hydrate
302-17-0

chloral hydrate

C20H11F24O2P

C20H11F24O2P

A

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-heptanol
335-99-9

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-heptanol

B

1H,1H,7H-perfluoroheptyl 1-hydroxy-2,2,2-trichloroethyl(phenyl)phosphinate

1H,1H,7H-perfluoroheptyl 1-hydroxy-2,2,2-trichloroethyl(phenyl)phosphinate

Conditions
ConditionsYield
In benzene at 30 - 40℃; Abramov reaction; Inert atmosphere;A n/a
B 96%
5-bromo-3-fluoro-2-methoxyaniline
239122-51-1

5-bromo-3-fluoro-2-methoxyaniline

chloral hydrate
302-17-0

chloral hydrate

N-(5-bromo-3-fluoro-2-methoxy-phenyl)-2-[(E)-hydroxyimino]-acetamide
1616831-12-9

N-(5-bromo-3-fluoro-2-methoxy-phenyl)-2-[(E)-hydroxyimino]-acetamide

Conditions
ConditionsYield
With hydrogenchloride; hydroxylamine hydrochloride; sodium sulfate In 1,4-dioxane; water at 50 - 70℃; for 15h;96%
chloral hydrate
302-17-0

chloral hydrate

1,3-Dimethoxybenzene
151-10-0

1,3-Dimethoxybenzene

1,1,1-trichloro-2,2-bis(2,4-dimethoxyphenyl)ethane
138002-56-9

1,1,1-trichloro-2,2-bis(2,4-dimethoxyphenyl)ethane

Conditions
ConditionsYield
95%

Chloral hydrate Chemical Properties

IUPAC Name: 2,2,2-Trichloroethane-1,1-diol 
Following is the structure of Chloral hydrate (CAS NO.302-17-0):
                
Molecular Formula: C2H3Cl3O2
Molecular Weight: 165.4
EINECS: 206-117-5
Storage temp.: 0-6 °C 
Water Solubility: 660 g/100 mL 
Index of Refraction: 1.545
Molar Refractivity: 28.85 cm3
Molar Volume: 91.1 cm3
Density: 1.814 g/cm3
Flash Point: 57.3 °C
Melting point:  57 °C(lit.)
Surface Tension: 59.3 dyne/cm
Enthalpy of Vaporization: 39.15 kJ/mol
Boiling Point: 96.3 °C at 760 mmHg
Vapour Pressure: 25.6 mmHg at 25 °C
Product Categories of Chloral hydrate (CAS NO.302-17-0): Miscellaneous; Organics; Method 551EPA; Method 8240; 500 Series Drinking Water Methods; 8000 Series Solidwaste Methods; EPA
Stability of Chloral hydrate (CAS NO.302-17-0): Stable, but may be air or light sensitive. Incompatible with alcohols, cyanides, iodine, strong bases, carbonates.
Canonical SMILES: C(C(Cl)(Cl)Cl)(O)O
InChI: InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H
InChIKey: RNFNDJAIBTYOQL-UHFFFAOYSA-N

Chloral hydrate Uses

 Chloral hydrate (CAS NO.302-17-0) is mainly used as pesticides,pharmaceutical intermediates, also used to produce Chloroform and chloral.

Chloral hydrate Toxicity Data With Reference

1.    

mrc-smc 15 mmol/L

    MUREAV    Mutation Research. 141 (1984),19.
2.    

sce-hmn:lym 54 mg/L

    AGTQAH    Annales de Genetique. 24 (1981),105.
3.    

orl-mus TDLo:10 mg/kg:CAR

    CDPRD4    Cancer Detection and Prevention. 9 (1986),279.
4.    

orl-wmn TDLo:465 mg/kg:EYE,BPR

    AMSVAZ    Acta Medica Scandinavica. 223 (1988),269.
5.    

orl-hmn LDLo:4 mg/kg

    PHBTH*    Pharmacology: Basis of Therapy. 3 (1967),132.
6.    

orl-hmn TDLo:300 mg/kg:CNS,CVS

    BMJOAE    British Medical Journal. 2 (1977),994.
7.    

unr-cld TDLo:48 mg/kg/6H-I:BPR AACRAT 65,691,86

8.    

unk-man LDLo:103 mg/kg

    85DCAI    Poisoning; Toxicology, Symptoms, Treatments. 2 (1970),73.
9.    

unr-inf TDLo:160 mg/kg/3D-I:CVS AACRAT 65,691,86

10.    

rec-cld TDLo:97 mg/kg:CVS AACRAT 65,691,86

11.    

orl-rat LD50:479 mg/kg

    TXAPA9    Toxicology and Applied Pharmacology. 18 (1971),185.
12.    

skn-rat LD50:3030 mg/kg

  

Chloral hydrate Consensus Reports

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Chloral hydrate Safety Profile

A human poison by ingestion and possibly other routes. Poison experimentally by ingestion, intravenous, and rectal routes. Moderately toxic by subcutaneous, parenteral, and intraperitoneal routes. Experimental reproductive effects. Human systemic effects by ingestion: general anesthetic, cardiac arrhythmias, blood pressure depression, eye effects, coma, pulse rate increase, arrhythmias. Human mutation data reported. Questionable carcinogen with experimental carcinogenic and tumorigenic data by skin contact. A sedative, anesthetic, and narcotic. Combustible when exposed to heat or flame. When heated to decomposition it emits toxic fumes of Cl.
Hazard Codes: ToxicTFlammableF
Risk Statements: 25-36/38-39-23/24/25-11-36/37/38 
R25 :Toxic if swallowed. 
R36/38:Irritating to eyes and skin. 
R39:Danger of very serious irreversible effects. 
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed. 
R11:Highly flammable. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-45-25-23-36/37-16-27 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S25:Avoid contact with eyes. 
S23:Do not breathe vapour. 
S36/37:Wear suitable protective clothing and gloves. 
S16:Keep away from sources of ignition. 
S27:Take off immediately all contaminated clothing.
RIDADR: UN 3286 3/PG 2
WGK Germany: 2
RTECS: FM8750000
HazardClass: 6.1(b)
PackingGroup: III

Chloral hydrate Specification

 Chloral hydrate (CAS NO.302-17-0) is also named as ,1,1-trichloro-2,2-ethanediol; 2,2,2-Trichloro-1,1-ethanediol; aquachloral; bi 3411; chloraldurat; dormal; Escre; felsules; hydral; trichloroacetaldehyde hydrate; Trichloroacetaldehyde Monohydrate; TCA,and so on.

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