HEXAMETHYLENE DIISOCYANATE

PRODUCT IDENTIFICATION

CAS NO. 822-06-0

HEXAMETHYLENE DIISOCYANATE

EINECS NO. 212-485-8
FORMULA (CH2)6(NCO)2
MOL WT. 168.19
H.S. CODE  

TOXICITY

Oral rat LD50: 710 ul/kg
SYNONYMS 1,6-Diisocyanatohexane; 1,6-Hexanediol diisocyanate;
HDI; Hexamethylene-1,6-diisocyanate; HMDI; isocyanic acid, diester with 1,6-hexanediol; isocyanic acid, hexamethylene ester; hexane 1,6-diisocyanate; 1,6-hexylene diisocyanate; Hexamethylendiisocyanat (Dutch); Diisocianato de hexametileno (Spanish); Diisocyanate d'hexaméthylène (French);

SMILES

 

CLASSIFICATION

 

PHYSICAL AND CHEMICAL PROPERTIES

PHYSICAL STATE Clear to slightly yellow liquid, pungent odor
MELTING POINT -70 C
BOILING POINT

261 C

SPECIFIC GRAVITY 1.04 - 1.05
SOLUBILITY IN WATER Reacts
pH

 

VAPOR DENSITY  

AUTOIGNITION

454 C

REFRACTIVE INDEX

1.453

NFPA RATINGS

Health: 2; Flammability: 1; Reactivity: 0
FLASH POINT

127 C

STABILITY  

APPLICATIONS

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. The most common diisocyantes for this reaction are:

DIISOCYNATES

CAS #

EINECS #

N=C=O

FORMULA
4,4'-METHYLENEDIPHENYL DIISOCYANATE (MDI) 101-68-8 202-966-0

33.6%

CH2(C6H4NCO)2 (250.25)

P-PHENYLENE DIISOCYANATE (PPDI)

104-49-4 203-207-6

52.5%

C6H4(NCO)2 (160.13)

1.6-HEXAMETHYLENE DIISOCYANATE (HDI)

822-06-0 212-485-8

49.9%

(CH2)6(NCO)2  (168.19)

1,5-NAPHTHALENE DIISOCYANATE (NDI)

3173-72-6 221-641-4

39.9%

C10H6(NCO)2 (210.19)

ISOPORON DIISOCYANATE (IPDI)

4098-71-9 223-861-6

37.8%

(CH3)2C6H7(CH3)CH2(NCO)2 (222.29)

TOLUENE DIISOCYANATE (TDI)

26471-62-5 247-722-4

48.3%

CH3C6H3(NCO)2 (174.16)
SALES SPECIFICATION

APPEARANCE

Clear liquid
PURITY

99.5% min

N=C=O CONTENT

49.5% min

COLOR, APHA

15 max

NCO EQUVALENT WT.

84 gr

TRANSPORTATION
PACKING  
HAZARD CLASS 6.1
UN NO. 2281
OTHER INFORMATION
Hazard Symbols: T, Risk Phrases: 21/22-36/37/38-42/43, Safety Phrases: 26-28A-38-45

GENERAL DESCRIPTION OF CYANATE (ISOCYANATE)

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.