3,4-DICHLOROPHENYL ISOCYANATE

PRODUCT IDENTIFICATION

CAS NO. 102-36-3

3,4-DICHLOROPHENYL ISOCYANATE

EINECS NO. 203-026-2
FORMULA Cl2C6H3NCO
MOL WT. 188.01
H.S. CODE 2929.10.3000
TOXICITY Oral rat LD50: 91 mg/kg
SYNONYMS Isocyanic acid 3,4-dichlorophenyl ester;
1,2-Dichloro-4-phenyl isocyanate; 1,2-Dichloro-4-isocyanatobenzene; 1,2-Dichloro-4-isocyanato benzene; 3,4-Dichlorfenylisokyanat; DCPI; 3,4-Dichlorphenylisocyanat (German); Isocianato de 3,4-diclorofenilo (Spanish); Isocyanate de 3,4-dichlorophényle (French); 3,4-Dichlorphenylisocyanate;
SMILES

c1cc(c(cc1N=C=O)Cl)Cl

CLASSIFICATION

 

EXTRA NOTES

 

PHYSICAL AND CHEMICAL PROPERTIES

PHYSICAL STATE Clear waxy solid
MELTING POINT 40 - 44 C
BOILING POINT 118 - 120 C
SPECIFIC GRAVITY  
SOLVENT SOLUBILITY

soluble in organic solvents

SOLUBILITY IN WATER Decomposes
log P 3.88 (Octanol-water)
pH  
VAPOR DENSITY  
NFPA RATINGS  

REFRACTIVE INDEX

 
FLASH POINT > 110 C
STABILITY Stable under ordinary conditions

EXTERNAL LINKS & GENERAL DESCRIPTION

Wikipedia Linking

Google Scholar Search

PubChem Compound Summary - 3,4-Dichlorphenylisocyanate

http://www.ebi.ac.uk/ -  3,4-Dichlorphenylisocyanate

http://www.ncbi.nlm.nih.gov/ -  3,4-Dichlorphenylisocyanate

Local:
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. 3,4-Dichlorophenyl isocyanate is used as an intermediate for the synthesis of organic compounds.

SALES SPECIFICATION

APPEARANCE

Clear waxy solid

CONTENT

99.0% min

FREE Cl

0.5% max

TRANSPORTATION
PACKING

 

HAZARD CLASS 6.1 (Packing Group: II)
UN NO.

2250

SAFETY INFORMATION

HAZARD OVERVIEW

Moisture sensitive. May be fatal if inhaled. May cause allergic respiratory and skin reaction. Harmful if swallowed or absorbed through the skin. Causes eye, skin, and respiratory tract irritation. Target Organs: Respiratory system, eyes, skin.

GHS

 

SIGNAL WORD

Danger

PICTOGRAMS

HAZARD STATEMENTS

H301-H315-H317-H319-H332-H334-H335

P STATEMENTS

P261-P280-P301 + P310-P305 + P351 + P338-P342 + P311

EC DIRECTIVES

 

HAZARD CODES

RISK PHRASES

23-36/37/38-42

SAFETY PHRASES

22-26-36/37/39-45

PRICE INFORMATION