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Reference substances

Reference substances

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General information

Inventory

EC number:
227-534-9
EC name:
o-(p-isocyanatobenzyl)phenyl isocyanate
CAS number:
5873-54-1

No inventory information available

Reference substance information

IUPAC name:
1-isocyanato-2-[(4-isocyanatophenyl)methyl]benzene
Synonyms
Names:
2,4'-MDI
Benzene, 1-isocyanato-2- (4-isocyanatophenyl)methyl -
Identifier:
IUPAC name
1-isocyanato-2-(4-isocyanatobenzyl)benzene
Identifier:
other: InChl
InChI=1/C15H10N2O2/c18-10-16-14-7-5-12(6-8-14)9-13-3-1-2-4-15(13)17-11-19/h1-8H,9H2
Identifier:
other: SMILES notation
O=C=Nc1ccc(Cc2ccccc2N=C=O)cc1

CAS information

CAS number:
5873-54-1

Molecular and structural information

Molecular formula:
C15H10N2O2
Molecular weight:
250
SMILES notation:
c1(c(Cc2ccc(cc2)N=C=O)cccc1)N=C=O
InChl:
InChI=1/C15H10N2O2/c18-10-16-14-7-5-12(6-8-14)9-13-3-1-2-4-15(13)17-11-19/h1-8H,9H2
Structural formula:
Chemical structure