4-CHLOROBENZONITRILE

PRODUCT IDENTIFICATION
CAS NO. 623-03-0

4-CHLOROBENZONITRILE

EINECS NO. 210-765-4
FORMULA C7H4NCl
MOL WT. 137.57
H.S. CODE

 

TOXICITY  
SYNONYMS p-Chlorobenzonitrile; 1-Chloro-4-cyanobenzene;
4-Chlorobenzonitrile; p-Chlorophenyl cyanide; 4-Chlorobenzoic acid nitrile; p-Chlorophenyl cyanide; PCBN;
SMILES 
 

CLASSIFICATION

BENZONITRILES /

PHYSICAL AND CHEMICAL PROPERTIES
PHYSICAL STATE white to pale yellow crystalline solid
MELTING POINT 91 - 95 C
BOILING POINT 223 - 224 C
SPECIFIC GRAVITY

 

SOLUBILITY IN WATER Insoluble (soluble in alcohol and ether)
AUTOIGNITION

 

pH  
VAPOR DENSITY  
NFPA RATINGS Health: 2; Flammability: 0; Reactivity: 0
FLASH POINT > 110 C
STABILITY Stable under ordinary conditions

GENERAL DESCRIPTION AND APPLICATIONS
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

Although nitriles don't have a carbonyl group, they are often considered as derivatives of carboxylic acids. Nitrile undergoes acid hydrolysis to form a carboxylic acid. Nitrile is reduced to form amine in the presence of nickel catalyst. Grignard reagents add to nitriles, forming a relatively stable imino derivative which can be hydrolyzed to a ketone. Metaloimine is hydrolyzed to give beta-ketoester. Nitrile undergoes a sequence of nucleophilic additions with an alcohol under acid catalysis, called nitrile alcoholysis. Nitriles are hydrolyzed to carboxylic acids, alcoholyzed to esters, reduced to amines, cyclyzed to pyridine derivatives.

Benzonitrile, derived mainly from benzoic acid reaction with lead thiocyanate by heating, is a clear liquid; boils at 191 C. It reacts violently with strong acids to produce toxic hydrogen cyanide. It decomposes on heating producing very toxic fumes, hydrogen cyanide, nitrous oxides.  Benzonitrile is used as a solvent and chemical intermediate for the synthesis of pharmaceuticals, dyestuffs and rubber chemicals through the reactions of alkylation, condensation, esterification, hydrolysis, halogenation or nitration. Benzonitrile and its derivatives are used in the manufacture of lacquers, polymers and anhydrous metallic salts as well as intermediates for pharmaceuticals, agrochemicals, and other organic chemicals.
SALES SPECIFICATION

APPEARANCE

 white to pale yellow crystalline powder
PURITY (GLC)

99.0% min

MELTING POINT

91 - 95 C

TRANSPORTATION
PACKING 200kgs in drum
HAZARD CLASS 6.1 (Packing Group: III)
UN NO. 2811
OTHER INFORMATION
Hazard Symbols: XN, Risk Phrases: 21/22-36, Safety Phrases: 23-28A-37-45