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| CAS No.: | 16130-58-8 |
|---|---|
| Name: | Acetyl chloride, cyano- |
| Article Data: | 63 |
| Molecular Structure: | |
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| Formula: | C3H2 Cl N O |
| Molecular Weight: | 103.508 |
| Synonyms: | Cyanoacetic acid chloride;Cyanoacetyl chloride;Acetylchloride, cyano- (8CI,9CI);2-cyanoacetyl chloride;cyanoacetyl chloride; |
| Density: | 1.2170 (rough estimate) |
| Boiling Point: | 73-75 °C |
| Hazard Symbols: | 3 |
| Risk Codes: | 3:; ">  3:; |
| 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. |
| PSA: | 40.86000 |
| LogP: | 0.66548 |
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- 372-09-8
cyanoacetic acid
- 16130-58-8
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; |
- 16130-58-8
cyanoacetic acid chloride
- 75233-82-8
cis-1-<1-<(tert-Butyldimethylsiloxy)methyl>-2-hydroxy-4-methyl-3-cyclohexenyl>-1-ethanone
- 75247-62-0
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% |
- 16130-58-8
cyanoacetic acid chloride
- 52727-57-8
5-bromo-2-aminobenzoic acid methyl ester
- 1179347-38-6
methyl 2-(2-cyanoacetamido)-5-bromobenzoate
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 0 - 20℃; | 100% |
- 844501-14-0
2-amino-4-(2-phenyl-cyclopropyl)-thiophene-3-carboxylic acid ethyl ester
- 16130-58-8
cyanoacetic acid chloride
- 844501-16-2
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% |
- 685540-89-0
1-[5-chloro-2-(4-methoxy-benzylamino)-phenyl]-ethanone
- 16130-58-8
cyanoacetic acid chloride
| Conditions | Yield |
|---|---|
| In benzene at 80℃; for 24h; Inert atmosphere; | 97% |
- 16130-58-8
cyanoacetic acid chloride
| Conditions | Yield |
|---|---|
| In benzene at 80℃; for 12h; Inert atmosphere; | 97% |
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Chemistry
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
Uses
Cyanoacetyl chloride (CAS NO.16130-58-8) is a cephalosporin acetonitrile (Cefacetrile) an important intermediate.
Consensus Reports
Cyanide compounds are on the Community Right-To-Know List.
Safety Profile
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.