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Reference substances

Reference substances

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General information

Inventory

EC number:
202-112-7
EC name:
3,3'-dimethylbiphenyl-4,4'-diyl diisocyanate
CAS number:
91-97-4

No inventory information available

Reference substance information

IUPAC name:
1-isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene
Synonyms
Names:
1,1'-Biphenyl, 4,4'-diisocyanato-3,3'-dimethyl-
TODI
Identifier:
IUPAC name
4,4'-diisocyanato-3,3'-dimethylbiphenyl
Identifier:
other: SMILES notation
Cc1cc(ccc1N=C=O)c2ccc(N=C=O)c(C)c2
Identifier:
other: InChl
InChI=1/C16H12N2O2/c1-11-7-13(3-5-15(11)17-9-19)14-4-6-16(18-10-20)12(2)8-14/h3-8H,1-2H3
1-isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene

CAS information

CAS number:
91-97-4

Molecular and structural information

Molecular formula:
C16H12N2O2
Molecular weight:
264.28
SMILES notation:
O=C=N/c1ccc(cc1C)c2ccc(\N=C=O)c(C)c2
InChl:
1/C16H12N2O2/c1-11-7-13(3-5-15(11)17-9-19)14-4-6-16(18-10-20)12(2)8-14/h3-8H,1-2H3
Structural formula:
Chemical structure