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Reference substances

Reference substances

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General information

Inventory

EC number:
203-176-9
EC name:
4-chlorophenyl isocyanate
CAS number:
104-12-1

No inventory information available

Reference substance information

IUPAC name:
1-chloro-4-isocyanatobenzene
Synonyms
Names:
1-chloro-4-isocyanatobenzene
Benzene, 1-chloro-4-isocyanato-
Identifier:
CAS number
104-12-1
Identifier:
other: SMILES notation
C1(Cl)=CC=C(C=C1)N=C=O
Identifier:
other: InChl
InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
1-chloro-4-isocyanatobenzene

CAS information

CAS number:
104-12-1

Molecular and structural information

Molecular formula:
C7H4ClNO
Molecular weight:
153.566
SMILES notation:
Clc1ccc(cc1)N=C=O
InChl:
InChI=1/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
Structural formula:
Chemical structure