BRN 3077482

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

CAS: 56947-97-8

Molecular Formula	`C19H14ClN3O7S2`
Molecular Weight	495.9 g/mol
LogP	4.4
Topological Polar Surface Area	182.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	6
Exact Mass	494.99615
Heavy Atoms	32
Complexity	795.0

Chemical Identifiers

CAS Number	56947-97-8
SMILES	`C1=CC(=CC=C1NC2=C(C=C(C=C2)S(=O)(=O)CCl)[N+](=O)[O-])S(=O)C3=CC=C(C=C3)[N+](=O)[O-]`
InChIKey	`VRHCECFQINDBLE-UHFFFAOYSA-N`

📖 Product Overview

BRN 3077482 (CAS: 56947-97-8) is a chemical compound with molecular formula C19H14ClN3O7S2 and molecular weight 495.9 g/mol. Its IUPAC systematic name is 4-(chloromethylsulfonyl)-2-nitro-N-[4-(4-nitrophenyl)sulfinylphenyl]aniline. LogP 4.4 Topological Polar Surface Area 182.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 9 Rotatable Bonds 6 Exact Mass 494.99615 Heavy Atoms 32 Complexity 795.0 InChI Key: VRHCECFQINDBLE-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1NC2=C(C=C(C=C2)S(=O)(=O)CCl)[N+](=O)[O-])S(=O)C3=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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