Basic information
- Name:
Benzyl cyanide
- CAS No.:
140-29-4
- Molecular Structure:
- Formula:
- C8H7N
- Synonyms:
- Acetonitrile,phenyl- (6CI,7CI,8CI);(Cyanomethyl)benzene;2-Phenylacetonitrile;2-Phenylethanenitrile;Phenylacetonitrile;
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Chemistry
The Molecular Structure of Benzyl cyanide (CAS NO.140-29-4):
Empirical Formula: C8H7N
Molecular Weight: 117.1479
IUPAC Name: 2-phenylacetonitrile
Appearance: colourless liquid
Product Categories: Pharmaceutical Intermediates;Organics
Nominal Mass: 117 Da
Average Mass: 117.1479 Da
Monoisotopic Mass: 117.057849 Da
Index of Refraction: 1.529
Molar Refractivity: 35.71 cm3
Molar Volume: 115.6 cm3
Surface Tension: 40.7 dyne/cm
Density: 1.013 g/cm3
Flash Point: 101.7 °C
Enthalpy of Vaporization: 47.02 kJ/mol
Boiling Point: 233.5 °C at 760 mmHg
Vapour Pressure: 0.0557 mmHg at 25°C
Melting Point: -24 °C
Water Solubility :insoluble. <0.1 g/100 mL at 17 °C
Stability: Stable. Incompatible with strong oxidizing agents. May produce hydrogen cyanide in a fire
InChI
InChI=1/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2
Smiles
c1(ccccc1)CC#N
Synonyms: Phenyl acetyl nitrile ; Phenylacetonitrile ; Tolunitrile ; (Cyanomethyl)benzene ; 2-Phenylacetonitrile ; Aceticacid,phenyl-nitrile ; Acetonitrile, phenyl- , Acetonitrile,phenyl-
Uses
Benzyl cyanide (CAS NO.140-29-4) is an intermediate to the production of methylphenidate, phenobarbital, and many amphetamines.
Production
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| frog | LDLo | subcutaneous | 1100mg/kg (1100mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899. |
| guinea pig | LD50 | oral | 10mg/kg (10mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | National Technical Information Service. Vol. OTS0570995, |
| guinea pig | LDLo | skin | 5mL/kg (5mL/kg) | SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | National Technical Information Service. Vol. OTS0570995, |
| mouse | LC50 | inhalation | 100mg/m3/2H (100mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 25, 1982. | |
| mouse | LD50 | intraperitoneal | 10mg/kg (10mg/kg) | National Technical Information Service. Vol. AD277-689, | |
| mouse | LD50 | oral | 45500ug/kg (45.5mg/kg) | Archives of Toxicology. Vol. 55, Pg. 47, 1984. | |
| mouse | LDLo | subcutaneous | 32mg/kg (32mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 12, Pg. 447, 1904. | |
| pigeon | LDLo | intramuscular | 120mg/kg (120mg/kg) | Food and Chemical Toxicology. Vol. 20, Pg. 803, 1982. | |
| rabbit | LD50 | skin | 270mg/kg (270mg/kg) | Food and Chemical Toxicology. Vol. 20, Pg. 803, 1982. | |
| rabbit | LDLo | subcutaneous | 50mg/kg (50mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899. |
| rat | LC50 | inhalation | 430mg/m3/2H (430mg/m3) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Hygiene and Sanitation Vol. 32(7-9), Pg. 176, 1967. |
| rat | LD50 | oral | 270mg/kg (270mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA LIVER: OTHER CHANGES | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 32(8), Pg. 20, 1967. |
| rat | LD50 | skin | 2gm/kg (2000mg/kg) | Food and Chemical Toxicology. Vol. 20, Pg. 803, 1982. | |
| rat | LDLo | intraperitoneal | 74982ug/kg (74.982mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Toxicology Letters. Vol. 10, Pg. 265, 1982. |
Safety Profile
Hazard Codes: 
T
T+
Risk Statements: 22-24-26-23/24/25
R22: Harmful if swallowed
R24: Toxic in contact with skin
R26: Very toxic by inhalation
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed
Safety Statements: 28-36/37-45-23
RIDADR: UN 2470 6.1/PG 3
WGK Germany: 3
RTECS: AM1400000
F: 8-9
F 8: Photosensitive
F 9: Keep under nitrogen
Hazard Note: Very Toxic
HazardClass: 6.1(b)
PackingGroup: III
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