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| CAS No.: | 2856-63-5 |
|---|---|
| Name: | 2-Chlorobenzyl cyanide |
| Article Data: | 23 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H6ClN |
| Molecular Weight: | 151.595 |
| Synonyms: | Acetonitrile,(o-chlorophenyl)- (7CI,8CI);(2-Chlorophenyl)acetonitrile;2-Chlorobenzeneacetonitrile;NSC 39462;o-Chlorobenzylcyanide;o-Chlorobenzyl nitrile;o-Chlorophenylacetonitrile;0-Chloro benzoy cyanidel; |
| EINECS: | 220-669-4 |
| Density: | 1.188 g/cm3 |
| Melting Point: | 21-24 °C |
| Boiling Point: | 254 °C at 760 mmHg |
| Flash Point: | 107.7 °C |
| Solubility: | Insoluble in water |
| Appearance: | clear slightly yellow liquid after melting |
| Hazard Symbols: |
 T, Xi
|
| Risk Codes: | 36/37/38-23/24/25 |
| Safety: | 45-36/37/39-28B-26-22 |
| PSA: | 23.79000 |
| LogP: | 2.40608 |
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Chemistry
IUPAC Name: 2-(2-Chlorophenyl)acetonitrile
Following is the structure of 2-Chlorobenzyl cyanide (CAS NO.2856-63-5):
Empirical Formula: C8H6ClN
Molecular Weight: 151.5929
EINECS: 220-669-4
Index of Refraction: 1.549
Molar Refractivity: 40.61 cm3
Molar Volume: 127.5 cm3
Density: 1.188 g/cm3
Flash Point: 107.7 °C
Melting point: 21-24 °C
Polarizability: 16.09 10-24cm3
Surface Tension: 43.7 dyne/cm
Enthalpy of Vaporization: 49.14 kJ/mol
Boiling Point: 254 °C at 760 mmHg
Vapour Pressure: 0.0177 mmHg at 25 °C
Appearance: Solid. after melting, clear slightly yellow
Product Categories of 2-Chlorobenzyl cyanide (CAS NO.2856-63-5): Aromatic Nitriles
Canonical SMILES: C1=CC=C(C(=C1)CC#N)Cl
InChI: InChI=1S/C8H6ClN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2
InChIKey: MRDUURPIPLIGQX-UHFFFAOYSA-N
Toxicity Data With Reference
2-Chlorobenzyl cyanide (CAS NO.2856-63-5) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated.
Safety Profile
Hazard Codes: 
T,
Xi
Risk Statements: 36/37/38-23/24/25
R36/37/38:Irritating to eyes, respiratory system and skin.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
Safety Statements: 45-36/37/39-28-26-22
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S28:After contact with skin, wash immediately with plenty of soap-suds.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S22:Do not breathe dust.
RIDADR: 3276
Hazard Note: Irritant
HazardClass: 6.1
PackingGroup: III
HS Code: 29269095
Specification
2-Chlorobenzyl cyanide , its cas register number 2856-63-5. It also can be called (o-Chlorophenyl)acetonitrile ; 2-Chlorophenylacetonitrile ; OCCN ; and 2-Cyanobenzyl chloride .
2-Chlorobenzyl cyanide (CAS NO.2856-63-5) should avoid the condition like incompatible materials. It is not compatible with strong oxidizing agents, strong reducing agents, strong acids, strong bases. And also prevent it to broken down into hazardous decomposition products: hydrogen chloride, hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide. However, its hazardous polymerization has not been reported.