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Reference substances

Reference substances

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General information

Inventory

EC number:
202-774-7
EC name:
Isophthaloyl dichloride
CAS number:
99-63-8

No inventory information available

Reference substance information

IUPAC name:
benzene-1,3-dicarbonyl dichloride
Synonyms
Names:
1,3-Benzenedicarbonyl dichloride
Isophthaloyl chloride
Identifier:
CAS number
99-63-8
Identifier:
IUPAC name
Benzene-1,3-dicarbonyl chloride
Identifier:
IUPAC name
benzene-1 ,3-dicarbonyl chloride
Identifier:
IUPAC name
benzene-1,3-dicarbonyl chloride
Identifier:
IUPAC name
benzene-1,3-dicarbonyl dichloride
Identifier:
common name
Isophthaloyl dichloride
Identifier:
other: InChl
1S/C8H4Cl2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H
Identifier:
other: SMILES notation
C1=CC(=CC(=C1)C(=O)Cl)C(=O)Cl
Identifier:
other: InChl
FDQSRULYDNDXQB-UHFFFAOYSA-N
Identifier:
other: SMILES notation
O=C(c(cccc1C(=O)Cl)c1)Cl
Identifier:
other: SMILES notation
c1cc(cc(c1)C(=O)Cl)C(=O)Cl
isophthaloyl dichloride

CAS information

CAS number:
99-63-8

Molecular and structural information

Molecular formula:
C8H4Cl2O2
Molecular weight:
203.022
SMILES notation:
ClC(=O)c1cccc(c1)C(=O)Cl
InChl:
InChI=1/C8H4Cl2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H
Structural formula:
Chemical structure