PHENYLACETONITRILE

PRODUCT IDENTIFICATION

CAS NO. 140-29-4

PHENYLACETONITRILE

EINECS NO. 205-410-5
FORMULA

C6H5CH2CN

MOL WT. 117.15
H.S. CODE 2926.90.4800
TOXICITY Oral rat LD50: 270 mg/kg
SYNONYMS Benzeneacetonitrile; Benzyl cyanide; (Cyanomethyl)benzene;
Cyanomethylbenzene; Benzyl nitrile; -Cyanotoluene; (Cyanomethyl)benzene; Phenyl acetyl nitrile; Phenacetonitrile; Benzenediacetonitrile; alpha-Tolunitrile; Benzeneacetonitrile; 2-Phenylacetonitrile; BnCN;
SMILES c1(ccccc1)CC#N

CLASSIFICATION

Nitrile

EXTRA NOTES

UN2470 [Poison]
Drug Enforcement Administration (DEA) List I

PHYSICAL AND CHEMICAL PROPERTIES

PHYSICAL STATE Clear to pale yellow liquid
MELTING POINT -24 C
BOILING POINT 234 C
SPECIFIC GRAVITY 1.02
SOLUBILITY IN WATER

117.2 g/l 20 C

pH

11.0 - 12.0 at 117.2 g/l at 25 C

VAPOR DENSITY 4.1

log P

1.56 (octanol-water)

NFPA RATINGS

Health: 4 Flammability: 1 Reactivity: 0

REFRACTIVE INDEX

1.523

FLASH POINT 101 C
STABILITY Stable under ordinary conditions

EXTERNAL LINKS & GENERAL DESCRIPTION

Wikipedia Linking

Google Scholar Search

Drug Information Portal (U.S. National Library of Medicine) - Benzyl cyanide

PubChem Compound Summary - Benzyl cyanide

KEGG (Kyoto Encyclopedia of Genes and Genomes) -   Benzyl cyanide

http://www.ebi.ac.uk/ -   Benzyl cyanide

http://www.ncbi.nlm.nih.gov/ -   Benzyl cyanide

Material Safety Data Sheet

http://forendex.southernforensic.org/

Southern Association of Forensic Scientists - Benzyl cyanide

Local:
Nitrile is an organic compounds containing cyano group (-C》N, containing trivalent nitrogen) which is attached to one carbon atom with the general formula RC》N. Their names are corresponding to carboxylic acids by changing '-ic acid' to the suffix, '-onitrile' which denotes only the 》N atom (triply bound) excluding the carbon atom attached to it, or  the suffix, '-carbonitrile' where the carbon atom in the -CN is included, whichever preserves a single letter O. Examples are acetonitrile from acetic acid and benzonitrile from benzoic acid. The prefix,  'cyano-' is used as an alternative naming system to indicate the presence of a nitrile group in a molecule for the compounds of salts and organic derivatives of hydrogen cyanide (HC》N). Isocyanides are salts and hydrocarbyl derivatives from the isomer, HN+》C-. Sodium cyanide, NaCN; potassium cyanide, KCN; calcium cyanide, Ca(CN)2; and hydrocyanic (or prussic) acid, HCN are examples. Chemically, the simple inorganic cyanides resemble chlorides in many ways. Organic nitriles act as solvents and are reacted further for various application including;

  · Extraction solvent for fatty acids, oils and unsaturated hydrocarbons
  · Solvent for spinning and casting and extractive distillation based on its     selective miscibility with organic compounds.
  · Removing agent of colouring matters and aromatic alcohols
  · Non-aqueous solvent for titrations and for inorganic salts
  · Recrystallization of steroids
  · Parent compound for organic synthesis
  · Solvent or chemical intermediate in biochemistry ( pesticide sequencing and     DNA synthesis)
  · High-pressure liquid chromatographic analysis
  · Catalyst and component of transition-metal complex catalysts
  · Stabilizer for chlorinated solvents
  · Chemical intermediate and solvent for perfumes and pharmaceuticals

Benzyl cyanide is used in organic synthesis for dyes, perfumes, pesticides, pharmaceuticals, especially penicillin precursors.

SALES SPECIFICATION

APPEARANCE

Clear to pale yellow liquid
PURITY

98.5% min

DENSITY

1.014-1.017

BENZYL CHORIDE

0.5% max

BENZYL ALCOHOL

0.8% max

WATER

0.5% max

TRANSPORTATION
PACKING  
HAZARD CLASS 6.1 (Packing group: III)
UN NO. 2470
SAFETY INFORMATION

HAZARD OVERVIEW

Target Organ Effect, Highly toxic by inhalation, Toxic by ingestion, Toxic by skin absorption. Target Organs: Central nervous system, Blood, Lungs, Cardiovascular system., Thyroid.

GHS

 

SIGNAL WORD Danger

PICTOGRAMS

HAZARD STATEMENTS

H301-H311-H330

P STATEMENTS

P260-P280-P284-P310

EC DIRECTIVES

 

HAZARD CODES

T+

RISK PHRASES

22-24-26

SAFETY PHRASES

28-36/37-45

PRICE INFORMATION