4-NITROPHENYL ISOCYANATE

PRODUCT IDENTIFICATION

CAS NO. 100-28-7

4-NITROPHENYL ISOCYANATE

EINECS NO. 202-836-3
FORMULA C7H4N2O3
MOL WT. 164.12

H.S. CODE

 

TOXICITY

Oral rat LD50: 1600 mg/kg 
SYNONYMS p-Nitrophenyl isocyanate; 1-Isocyanato-4-Nitrobenzene;
4-Nitrophenylisocyanat (German); Isocianato de 4-Nitrofenilo (Spanish); Isocyanate de 4-nitrophényle (French);
SMILES

 

CLASSIFICATION

 

PHYSICAL AND CHEMICAL PROPERTIES

PHYSICAL STATE

slightly brown solid

MELTING POINT 56 - 58 C
BOILING POINT 137 - 138 at 11 mm Hg
SPECIFIC GRAVITY  
SOLUBILITY IN WATER

Reacts

pH  
VAPOR DENSITY

5.7

REFRACTIVE INDEX

 
AUTOIGNITION

 

NFPA RATINGS  
FLASH POINT

66 C

STABILITY

Stable under ordinary conditions. Moisture sensitive.

APPLICATIONS

Cyanic acid (the isomer of fulminic acid) is an unstable (explosive), poisonous, volatile, clear liquid with the structure of H-O-CN (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-CN
  • Fulminic acid: (H-C=N-O) or H-CN-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. p-Nitrophenyl isocyanate is used as an Intermediate for the synthesis of agrochemicals and pharmaceuticals.

SALES SPECIFICATION

APPEARANCE

slightly brown solid

ASSAY (GC)

95.0%

TRANSPORTATION
PACKING

200kgs in drum

HAZARD CLASS 6.1 (Packing Group: III)
UN NO. 2206
OTHER INFORMATION
 Hazard Symbols: XN; Risk Phrases: 20/21/22-36/37/38-42; Safety Phrases: 22-26-36/37/39-45