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Name |
CYANOACETYL CHLORIDE |
EINECS | N/A |
CAS No. | 16130-58-8 | Density | 1.2170 (rough estimate) |
PSA | 40.86000 | LogP | 0.66548 |
Solubility | N/A | Melting Point |
N/A |
Formula | C3H2 Cl N O | Boiling Point | 73-75 °C |
Molecular Weight | 103.508 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | A poison. A storage hazard. It may explode at room temperature. Upon decomposition it emits toxic fumes of Cl−, NOx, and CN−. See also CYANIDE and CHLORIDES. | Risk Codes |
3:; |
Molecular Structure | Hazard Symbols | 3 | |
Synonyms |
Cyanoacetic acid chloride;Cyanoacetyl chloride;Acetylchloride, cyano- (8CI,9CI);2-cyanoacetyl chloride;cyanoacetyl chloride; |
Article Data | 63 |
cyanoacetic acid
cyanoacetic acid chloride
Conditions | Yield |
---|---|
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 0.5h; Solvent; Temperature; Inert atmosphere; | 100% |
With phosphorus pentachloride In diethyl ether at 20℃; | 89% |
With phosphorus pentachloride In diethyl ether Inert atmosphere; Cooling with ice; | 52% |
Conditions | Yield |
---|---|
In dichloromethane; N,N-dimethyl-formamide | |
In dichloromethane; N,N-dimethyl-formamide at 20℃; for 2.5h; |
Conditions | Yield |
---|---|
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 25℃; for 1h; Inert atmosphere; |
cyanoacetic acid chloride
cis-1-<1-<(tert-Butyldimethylsiloxy)methyl>-2-hydroxy-4-methyl-3-cyclohexenyl>-1-ethanone
Cyano-acetic acid (1R,6R)-6-acetyl-6-(tert-butyl-dimethyl-silanyloxymethyl)-3-methyl-cyclohex-2-enyl ester
Conditions | Yield |
---|---|
With pyridine In diethyl ether; dichloromethane at 0℃; for 0.25h; | 100% |
cyanoacetic acid chloride
5-bromo-2-aminobenzoic acid methyl ester
methyl 2-(2-cyanoacetamido)-5-bromobenzoate
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; | 100% |
2-amino-4-(2-phenyl-cyclopropyl)-thiophene-3-carboxylic acid ethyl ester
cyanoacetic acid chloride
2-(2-cyano-acetylamino)-4-(2-phenyl-cyclopropyl)-thiophene-3-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
In dichloromethane | 99% |
Conditions | Yield |
---|---|
In benzene at 80℃; for 24h; Inert atmosphere; | 98% |
Conditions | Yield |
---|---|
In benzene at 80℃; for 24h; Inert atmosphere; | 98% |
1-[5-chloro-2-(4-methoxy-benzylamino)-phenyl]-ethanone
cyanoacetic acid chloride
Conditions | Yield |
---|---|
In benzene at 80℃; for 24h; Inert atmosphere; | 97% |
cyanoacetic acid chloride
Conditions | Yield |
---|---|
In benzene at 80℃; for 12h; Inert atmosphere; | 97% |
Product Name: Cyanoacetyl chloride (CAS NO.16130-58-8)
Molecular Formula: C3H2ClNO
Molecular Weight: 103.51g/mol
Mol File: 16130-58-8.mol
Appearance: Colorless transparent liquid
Boiling point: 180.9 °C at 760 mmHg
Flash Point: 63.2 °C
Density: 1.294 g/cm3
Solubility: Soluble in ether
Surface Tension: 41.8 dyne/cm
Enthalpy of Vaporization: 41.71 kJ/mol
Vapour Pressure: 0.876 mmHg at 25°C
XLogP3-AA: 0.7
H-Bond Donor: 0
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Topological Polar Surface Area: 40.9
Heavy Atom Count: 6
Complexity: 101
Covalently-Bonded Unit Count: 1
Cyanoacetyl chloride (CAS NO.16130-58-8) is a cephalosporin acetonitrile (Cefacetrile) an important intermediate.
Cyanide compounds are on the Community Right-To-Know List.
A poison. A storage hazard. It may explode at room temperature. Upon decomposition it emits toxic fumes of Cl−, NOx, and CN−. See also CYANIDE and CHLORIDES.