CAS No.79-07-2,Chloroacetamide Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	79-07-2
Name:	Chloroacetamide
Article Data:	108

Formula:	C₂H₄ClNO
Molecular Weight:	93.5129
Synonyms:	Acetamide, a-chloro- (4CI);2-Chloroacetamide;Chloracetamide;KM 101;KM 101 (fungicide);Mergal AF;Microcide;NSC 54286;NSC 8408;a-Chloroacetamide;
EINECS:	201-174-2
Density:	1.268 g/cm³
Melting Point:	116-118 °C(lit.)
Boiling Point:	256 °C at 760 mmHg
Flash Point:	108.6 °C
Solubility:	Soluble in water(90g/L).
Appearance:	White crystal
Hazard Symbols:	T
Risk Codes:	25-43-62
Safety:	22-36/37-45
Transport Information:	UN 2811 6.1/PG 3
PSA:	43.09000
LogP:	0.41080

Synthetic route

: 112-41-4
1-dodecene

: 35070-77-0
N-chloro-alpha-chloroacetamide

A: 35077-34-0
2-Chloro-N-(2-chloro-dodecyl)-acetamide

B: 79-07-2
Chloroacetamide

Conditions

Conditions	Yield
In dichloromethane at 15 - 20℃; Irradiation;	A 95% B 3%

...Expand

: 120158-03-4
tert-butyl (2-chloroacetyl)carbamate

: 79-07-2
Chloroacetamide

Conditions

Conditions	Yield
With trifluoroacetic acid In dichloromethane for 1h; Ambient temperature;	94%

: 35070-77-0
N-chloro-alpha-chloroacetamide

: 79-07-2
Chloroacetamide

Conditions

Conditions	Yield
With n-octyne In dichloromethane at 15 - 20℃; Irradiation;	93%

: 107-14-2
chloroacetonitrile

: 79-07-2
Chloroacetamide

Conditions

Conditions	Yield
With Amberlyst A-26 (OH- form); dihydrogen peroxide In methanol at 20℃; for 2h; Hydrolysis;	93%
With [RuCl2(η6-p-cymene)(P(4-C6H4F)2Cl)]; water at 40℃; for 1h; Sealed tube; Inert atmosphere;	93%
With C19H23Cl2N6PRuS3*3ClH; water at 100℃; for 1h; Inert atmosphere; Schlenk technique;	88%

: 35077-11-3
α-chloro-N-bromoacetamide

: 79-07-2
Chloroacetamide

Conditions

Conditions	Yield
With 1,2-dimethylcyclohexene In dichloromethane at 15 - 20℃; Irradiation;	92%
With perchloric acid; water; potassium hydrogen phthalate; potassium nitrate; potassium bromide at 25℃; for 1h; Equilibrium constant;

: 591-49-1
1-methylcyclohex-1-ene

: 35070-77-0
N-chloro-alpha-chloroacetamide

: 35077-36-2, 64226-98-8
2-Chloro-N-((1S,2R)-2-chloro-2-methyl-cyclohexyl)-acetamide

B: 79-07-2
Chloroacetamide

Conditions

Conditions	Yield
In dichloromethane at 15 - 20℃; Irradiation;	A 88% B 7%

...Expand

: 67-56-1
methanol

: 70737-12-1
methyl 2-chloroacetimidate hydrochloride

A: 74974-54-2
2-chloro-1,1,1-trimethoxyethane

B: 79-07-2
Chloroacetamide

Conditions

Conditions	Yield
at 20℃; for 24h;	A 65% B n/a

...Expand

: 112-41-4
1-dodecene

: 35077-11-3
α-chloro-N-bromoacetamide

A: 35077-35-1
N-(2-Bromo-dodecyl)-2-chloro-acetamide

B: 79-07-2
Chloroacetamide

Conditions

Conditions	Yield
In dichloromethane at 15 - 20℃; Irradiation;	A 62% B 30%

...Expand

: 35070-77-0
N-chloro-alpha-chloroacetamide

: 930-66-5
1-chlorocyclohexene

A: 78174-21-7
2-Chloro-N-(2,2-dichloro-cyclohexyl)-acetamide

B: 79-07-2
Chloroacetamide

Conditions

Conditions	Yield
In dichloromethane at 15 - 20℃; Irradiation;	A 35% B 59%

...Expand

: 35070-77-0
N-chloro-alpha-chloroacetamide

: 932-66-1
1-cyclohexenyl methyl ketone

: 35077-39-5, 35077-40-8
N-((1S,2R)-2-Acetyl-2-chloro-cyclohexyl)-2-chloro-acetamide

: 35077-39-5, 35077-40-8
N-((1R,2R)-2-Acetyl-2-chloro-cyclohexyl)-2-chloro-acetamide

C: 79-07-2
Chloroacetamide

Conditions

Conditions	Yield
In dichloromethane at 15 - 20℃; Irradiation;	A 16% B 54% C 30%

...Expand

Raw Materials

57987-77-6

107-14-2

57-13-6

112-41-4

16995-35-0

65-85-0

109-76-2

498-66-8

Downstream Products

107-20-0

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Specification

The CAS registry number of Chloroacetamide is 79-07-2. The IUPAC name is 2-chloroacetamide. Its EINECS registry number is 201-174-2. It is also called Acetamide, 2-chloro-. In addition, the molecular formula is C₂H₄ClNO and the molecular weight is 93.51. It is a colorless or yellow crystalline substance with characteristic smell, readily soluble in water. What's more, it belongs to the classes of Amides; Carbonyl Compounds; Organic Building Blocks. It should be stored in a airtight, cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: -0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.85; (4)ACD/LogD (pH 7.4): -0.85; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.18; (8)ACD/KOC (pH 7.4): 8.18; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 19.72 cm³; (15)Molar Volume: 73.7 cm³; (16)Polarizability: 7.82 ×10^-24cm³; (17)Surface Tension: 39 dyne/cm; (18)Density: 1.268 g/cm³; (19)Flash Point: 108.6 °C; (20)Enthalpy of Vaporization: 49.35 kJ/mol; (21)Boiling Point: 256 °C at 760 mmHg; (22)Vapour Pressure: 0.0158 mmHg at 25°C.

Preparation of Chloroacetamide: it can be prepared by ethyl chloroacetate and ammonia. At first, cool the ethyl chloroacetate to 10 °C, slowly add ammonia (relative density is 0.9) with stirring. After finish adding ammonia, continue to stir for 1 hour, filter and crystal the product, use ammonia to wash chloride, drained the product as far as possible, use ethanol for recrystallization at last.

Uses of Chloroacetamide: it can be used in organic synthesis, pharmaceutical intermediates. It can produce organic compounds such as chloroacetonitrile, sulfanilyl-3-methoxypyrazine and sulfanilylmethylpyrazine. In addition, it can be used as preservative of shampoo, cutting oils, plastics, coatings slab and shower gel. What's more, it can react with 1-phenyl-piperazine to get (4-phenyl-piperazino)-acetic acid amide. This reaction will need reagent K₂CO₃ and solvent toluene. The yield is about 75% by heating.

Chloroacetamide can react with 1-phenyl-piperazine to get (4-phenyl-piperazino)-acetic acid amide

When you are using this chemical, please be cautious about it as the following:
It is toxic if swallowed and may cause sensitization by skin contact. And it has risk of impaired fertility. During using it, do not breathe dust and wear suitable protective clothing and gloves. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(=O)N
(2)InChI: InChI=1/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5)
(3)InChIKey: VXIVSQZSERGHQP-UHFFFAOYAM

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	oral	31mg/kg (31mg/kg)		Zhonghua Yixue Zazhi. Chinese Medical Journal. Vol. 58, Pg. 462, 1978.
mouse	LD50	intraperitoneal	100mg/kg (100mg/kg)		National Technical Information Service. Vol. AD277-689,
mouse	LD50	intravenous	180mg/kg (180mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03764,
mouse	LD50	oral	155mg/kg (155mg/kg)		Zhonghua Yixue Zazhi. Chinese Medical Journal. Vol. 58, Pg. 462, 1978.
rabbit	LD50	oral	122mg/kg (122mg/kg)		Zhonghua Yixue Zazhi. Chinese Medical Journal. Vol. 58, Pg. 462, 1978.
rat	LD50	oral	138mg/kg (138mg/kg)	BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA	National Technical Information Service. Vol. OTS0536947,
rat	LD50	unreported	70mg/kg (70mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 1073, 1969.