BENZYL ISOCYANATE

PRODUCT IDENTIFICATION
CAS NO. 3173-56-6

BENZYL ISOCYANATE
EINECS NO. 221-640-9
FORMULA C7H6NCO
MOL WT. 133.15

H.S. CODE

 2929.10
TOXICITY Oral rat LD50: 800 mg/kg
SYNONYMS Isocyanic acid Benzyl ester; Isocianato de bencilo (Spanish);
Benzylisocyanat (Dutch); Bencilo isocianato (Spanish); Isocyanate de benzyle (French);
SMILES  

CLASSIFICATION

 

PHYSICAL AND CHEMICAL PROPERTIES
PHYSICAL STATE clear to lightly yellow liquid
MELTING POINT  
BOILING POINT 101 - 104 C at 33.00 hPa
SPECIFIC GRAVITY 1.075 - 1.085
SOLUBILITY IN WATER Hydrolyses
pH  
VAPOR DENSITY  

AUTOIGNITION

  

NFPA RATINGS

 Health: 2; Flammability: 2; Reactivity: 2

REFRACTIVE INDEX

  
FLASH POINT 51 C
STABILITY Stable under ordinary conditions. Moisture sensitive

GENERAL DESCRIPTION AND APPLICATIONS
Cyanic acid (the isomer of fulminic acid) is an unstable (explosive), poisonous, volatile, clear liquid with the structure of H-O-C≡N (the oxoacid formed from the pseudohalogen cyanide), which is readily converted to cyamelide and fulminic acid. There is another isomeric cyanic acid with the structure of H-N=C=O, called isocyanic acid. Cyanate group (and isocyanate group) can react with itself. Cyanuric acid (also called pyrolithic acid), white monoclinic crystal with the structure of [HOC(NCOH)2N], is the trimer of cyanic acid. The trimer of isocyanic acid is called biuret.
  • Cyanic acid: H-N=C=O or H-O-C≡N
  • Fulminic acid: (H-C=N-O) or H-C≡N-O
  • Isocyanic acid: H-N=C=O
  • Cyanuric acid: HOC(NCOH)2N
  • Biuret: (NH2)CO)2 NH

Cyanic acid hydrolyses to ammonia and carbon dioxide in water. The salts and esters of cyanic acid are cyanates. But esters of normal cyanic acid are not known. The salts and esters of isocyanic acid are isocyanates. The isocyanate group reacts with the hydroxyl functional group to form a urethane linkage. Diisocyanates (or polyisocyanates) are monomers for polyurethane production. Polyurethane is made from a variety of diisocyanates in conjunction with polyether and polyester polyols as co-reactants by addition polymerization which needs at least two -N=C=O groups. Polyurethanes are widely used in the manufacture of flexible and rigid foams, fibres, coatings, and elastomers. If isocyanate monomer is polymerized with amine group, polyurea is produced. Cyanates (or Isocyanates) are readily reacts with various form of amine (including ammonia, primary-, secondary-amines, amides and ureas) and hydroxyl functional group. They are used in the synthesis for the target molecules such as pharmaceuticals, pesticides, textile softener, lubricants and industrial disinfectants. They can convert to polycyclic compounds such as hydantoins and imidazolons. They are used as plastic additives and as heat treatment salt formulations for metals. Benzyl Isocyanate is mainly used in manufacturing arochemcials.

SALES SPECIFICATION

APPEARANCE

clear to lightly yellow liquid
ASSAY 98.0% min
SPECIFIC GRAVITY 1.075 - 1.085
TRANSPORTATION
PACKING 200kgs in drum
HAZARD CLASS 6.1 (Packing Group: II)
UN NO. 3080
OTHER INFORMATION
Hazard Symbols: T+, Risk Phrases: 10-26-36/37/38-42, Safety Phrases: 23.2-28.1-36/37-45