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| CAS No.: | 107-14-2 |
|---|---|
| Name: | Chloroacetonitrile |
| Article Data: | 37 |
| Molecular Structure: | |
|
|
|
| Formula: | C2H2ClN |
| Molecular Weight: | 75.4976 |
| Synonyms: | Acetonitrile,chloro- (6CI,8CI,9CI);2-Chloroacetonitrile;Chloromethyl cyanide;Cyanomethyl chloride;Monochloroacetonitrile;Acetonitrile,2-chloro-;a-Chloroacetonitrile; |
| EINECS: | 203-467-0 |
| Density: | 1.138 g/cm3 |
| Melting Point: | 38 ºC |
| Boiling Point: | 126.5 ºC at 760 mmHg |
| Flash Point: | 47.8 ºC |
| Solubility: | insoluble in water |
| Appearance: | Colorless transparent liquid |
| Hazard Symbols: |
 T, N
|
| Risk Codes: | 23/24/25-51/53 |
| Safety: | 45-61 |
| Transport Information: | UN 2668 6.1/PG 2 |
| PSA: | 23.79000 |
| LogP: | 0.74878 |
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Chemistry
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IUPAC Name: 2-Chloroacetonitrile
Molecular Formula: C2H2ClN
Molecular Weight: 75.50 g/mol
Canonical SMILES: C(CCl)#N
InChI: InChI=1/C2H2ClN/c3-1-2-4/h1H2
EINECS: 203-467-0
Classification Code: Mutation data; Skin / Eye Irritant; Tumor data
Product Categories: Pharmaceutical Intermediates; C1 to C5; Cyanides/Nitriles; Nitrogen Compounds
Stability: Stable, but reacts with water. Combustible. Incompatible with water, moisture, strong oxidizing agents, acids.
Water Solubility: Insoluble
XLogP3: 0.5
H-Bond Acceptor: 1
Index of Refraction: 1.4
Molar Refractivity: 16.07 cm3
Molar Volume: 66.3 cm3
Polarizability: 6.37×10-24 cm3
Surface Tension: 32.5 dyne/cm
Density: 1.138 g/cm3
Flash Point: 47.8 °C
Enthalpy of Vaporization: 36.43 kJ/mol
Boiling Point: 126.5 °C at 760 mmHg
Melting Point: 38 °C
Vapour Pressure of Chloroacetonitrile (CAS NO.107-14-2): 11.6 mmHg at 25 °C
Uses
Chloroacetonitrile (CAS NO.107-14-2) is commonly used as pharmaceutical intermediates.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 100mg/kg (100mg/kg) | National Technical Information Service. Vol. AD277-689, | |
| mouse | LD50 | oral | 139mg/kg (139mg/kg) | Archives of Toxicology. Vol. 55, Pg. 47, 1984. | |
| rabbit | LD50 | skin | 71uL/kg (0.071mL/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
| rat | LCLo | inhalation | 250ppm/4H (250ppm) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
| rat | LD50 | oral | 220mg/kg (220mg/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. |
Consensus Reports
Reported in EPA TSCA Inventory. Cyanide and its compounds are on the Community Right-To-Know List.
Safety Profile
Poison by ingestion, skin contact, and intraperitoneal routes. Moderately toxic by inhalation. A skin irritant. Human mutation data reported. Questionable carcinogen with experimental tumorigenic data. Flammable liquid.
Hazard Codes: 
T,
N
Risk Statements: 23/24/25-51/53
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.
R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 45-61
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S61: Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN 2668 6.1/PG 2
WGK Germany: 3
RTECS: AL8225000
HazardClass: 6.1
PackingGroup II
Standards and Recommendations
DOT Classification: 6.1; Label: Poison
Specification
Chloroacetonitrile (CAS NO.107-14-2), its Synonyms are 2-Chloroacetonitrile ; Acetonitrile, chloro- ; Chloroethanenitrile ; Chloromethyl cyanide ; Monochloroacetonitrile ; Monochloromethyl cyanide ; alpha-Chloroacetonitrile ; Acetonitrile, 2-chloro- ; Acetonitrile, chloro- . It is a colorless liquid with a pungent odor.