tert-BUTYL ISOCYANATE

PRODUCT IDENTIFICATION

CAS NO. 1609-86-5

tert-BUTYL ISOCYANATE

EINECS NO. 216-544-9
FORMULA C4H9NCO
MOL WT. 99.13

H.S. CODE

 

TOXICITY

 
SYNONYMS Isocyanic acid, tert-butyl ester;
tert-Butylisocyanat (German); Isocianato de terc-butilo (Spanish); Isocyanate de tert-butyle (French); 1,1-Dimethylethyl isocyanate; 2-Isocyanato-2-methylpropane;
SMILES  

CLASSIFICATION

 

PHYSICAL AND CHEMICAL PROPERTIES

PHYSICAL STATE

clear liquid

MELTING POINT

 
BOILING POINT 85 C
SPECIFIC GRAVITY 0.845 - 0.865

SOLUBILITY IN WATER

Reacts
pH  
VAPOR DENSITY  

REFRACTIVE INDEX

1.386
NFPA RATINGS Health: 2; Flammability: 3; Reactivity: 2; Special Hazard: -W- 
FLASH POINT

 

STABILITY Stable under ordinary conditions. Moisture sensitive

GENERAL DESCRIPTION & 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. tert-butylisocyanate is used as an intermediate in organic synthesis (agrochemicals and pharmaceuticals).

SALES SPECIFICATION

APPEARANCE

clear liquid

Assay (GC)

98.0% min

SUM IMPURITY

2.0% max
TRANSPORTATION
PACKING 170kgs in drum
HAZARD CLASS 6.1 (Packing Group: I)
UN NO.

2484

OTHER INFORMATION
Hazard Symbols: F T+, Risk Phrases: 11-14-22-26-34-37-42, Safety Phrases: 16-26-36/37/39-45