BRN 3077353

4-(chloromethylsulfonyl)-2-nitro-N-[4-(4-nitrophenyl)sulfanylphenyl]aniline

CAS: 56947-96-7

Molecular Formula	`C19H14ClN3O6S2`
Molecular Weight	479.9 g/mol
LogP	5.7
Topological Polar Surface Area	171.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	479.00125
Heavy Atoms	31
Complexity	722.0

Chemical Identifiers

CAS Number	56947-96-7
SMILES	`C1=CC(=CC=C1NC2=C(C=C(C=C2)S(=O)(=O)CCl)[N+](=O)[O-])SC3=CC=C(C=C3)[N+](=O)[O-]`
InChIKey	`QUQUZQKPEDHIRY-UHFFFAOYSA-N`

📖 Product Overview

BRN 3077353 (CAS: 56947-96-7) is a chemical compound with molecular formula C19H14ClN3O6S2 and molecular weight 479.9 g/mol. Its IUPAC systematic name is 4-(chloromethylsulfonyl)-2-nitro-N-[4-(4-nitrophenyl)sulfanylphenyl]aniline. LogP 5.7 Topological Polar Surface Area 171.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 8 Rotatable Bonds 6 Exact Mass 479.00125 Heavy Atoms 31 Complexity 722.0 InChI Key: QUQUZQKPEDHIRY-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1NC2=C(C=C(C=C2)S(=O)(=O)CCl)[N+](=O)[O-])SC3=CC=C(C=C3)[N+](=O)[O-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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