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Reference substances

Reference substances

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General information

Inventory

EC number:
212-485-8
EC name:
Hexamethylene diisocyanate
CAS number:
822-06-0

No inventory information available

Reference substance information

IUPAC name:
1,6-diisocyanatohexane
Synonyms
Names:
Hexane, 1,6-diisocyanato-
Identifier:
other: InChl
InChI=1/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2
Identifier:
other: SMILES notation
O=C=N\CCCCCC\N=C=O

CAS information

CAS number:
822-06-0

Molecular and structural information

Molecular formula:
C8H12N2O2
Molecular weight:
168.193
SMILES notation:
C(CCCN=C=O)CCN=C=O
InChl:
InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2
Structural formula:
Chemical structure