PHENYL ISOCYANATE

PRODUCT IDENTIFICATION

CAS NO. 103-71-9

PHENYLISOCYANATE

EINECS NO. 203-137-6
FORMULA C6H5NCO
MOL WT. 119.12

H.S. CODE

929.10.8090
TOXICITY Oral rat LD50: 800 mg/kg
SYNONYMS Isocyanic acid phenyl ester;
Carbanil; Isocyanatobenzene; Phenylcarbimide; Phenylic mustard oil; Phenylisocyanat (German); Isocianato de fenilo (Spanish); Isocyanate de phényle (French); Fenylisokyanat; Karbanil (Czech); Phenyl carbonimide; Phenyl isocyanate;
SMILES c1ccc(cc1)N=C=O

CLASSIFICATION

 

EXTRA NOTES

UN2487 [Poison]

PHYSICAL AND CHEMICAL PROPERTIES

PHYSICAL STATE clear iquid
MELTING POINT -33 - -31 C
BOILING POINT 160 C
SPECIFIC GRAVITY 1.09 - 1.11
SOLUBILITY IN WATER Hydrolyses
SOLVENT SOLUBILITY

Decomposes in alcohol Soluble in ether

log P 2.59 (Octanol-water)
pH  
VAPOR DENSITY  

AUTOIGNITION

645 C

NFPA RATINGS

 

REFRACTIVE INDEX

1.534
FLASH POINT 51 C
STABILITY Stable under ordinary conditions. Moisture sensitive

EXTERNAL LINKS & GENERAL DESCRIPTION

Wikipedia Linking

Google Scholar Search

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

PubChem Compound Summary - Phenylisocyanate

ACUTE EXPOSURE GUIDELINE LEVELS (AEGLs) -  Phenylisocyanate

Drug Bank -  Phenylisocyanate

KEGG (Kyoto Encyclopedia of Genes and Genomes) -  Phenylisocyanate

http://www.ebi.ac.uk/ -  Phenylisocyanate

http://www.ncbi.nlm.nih.gov/ -  Phenylisocyanate

Local:
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.

SALES SPECIFICATION

APPEARANCE

clear liquid
ASSAY 98.0% min
SPECIFIC GRAVITY 1.09 - 1.11
TRANSPORTATION
PACKING  
HAZARD CLASS 6.1 (Packing Group: I)
UN NO. 2487
SAFETY INFORMATION

HAZARD OVERVIEW

Flammable liquid and vapor. Causes skin irritation. May cause allergic respiratory reaction. Water-reactive. Lachrymator (substance which increases the flow of tears). May be harmful if swallowed. Causes severe eye irritation. Causes digestive and respiratory tract irritation. May be fatal if inhaled. Target Organs: Lungs.

GHS

 

SIGNAL WORD

Danger

PICTOGRAMS

HAZARD STATEMENTS

H226-H302-H314-H317-H330-H334

P STATEMENTS

P260-P280-P284-P305 + P351 + P338-P310

EC DIRECTIVES

 

HAZARD CODES

RISK PHRASES

10-22-26-34-42-52

SAFETY PHRASES

16-26-28-36/37/39-45

PRICE INFORMATION