1-Fluoro-2-nitro-4-[(3-nitrophenyl)sulfonyl]benzene

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Basic information

CAS: 383-21-1
Standard SMILES: O=[N+]([O-])c1cccc(S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c1
InChIKey: NOILFIOPNUSERX-UHFFFAOYSA-N
Molecular formula: C12H7FN2O6S
Average molar mass: 326.26 g/mol
Monoisotopic mass: 326.00088528

Overview

See also: 4-Fluoro-3-nitrophenyl 3-nitrophenyl sulfone (annotation moved to).

Names & identifiers

Preferred name: 1-Fluoro-2-nitro-4-[(3-nitrophenyl)sulfonyl]benzene
IUPAC: 1-fluoro-2-nitro-4-(3-nitrophenyl)sulfonylbenzene
English name: 1-fluoro-2-nitro-4-(3-nitrophenyl)sulfonyl-benzene
Molecular formula: C12H7FN2O6S
Molecular weight: 326.26

Names & synonyms

1-Fluoro-2-nitro-4-[(3-nitrophenyl)sulfonyl]benzene1-Fluoro-2-nitro-4-((3-nitrophenyl)sulfonyl)benzeneRefChem:432780383-21-13,3'-Dinitro-4-fluorodiphenylsulfoneNSC18285NSC-18285PBE38F39BRBenzene,1-fluoro-2-nitro-4-[(3-nitrophenyl)sulfonyl]-p-Fluoro-m,m'-dinitrophenyl sulfonep-Fluoro-m,m'-dinitrodiphenyl sulfone4-Fluoro-3,3'-dinitrodiphenyl sulfone

Show more names

4-Fluoro-3-nitrophenyl 3-nitrophenyl sulfone1-fluoro-2-nitro-4-(3-nitrophenyl)sulfonyl-benzene

Benzene, 1-fluoro-2-nitro-4-[(3-nitrophenyl)sulfonyl]-Sulfone, 4-fluoro-3-nitrophenyl m-nitrophenyl1-fluoro-2-nitro-4-(3-nitrophenyl)sulfonylbenzeneNSC 18285UNII-PBE38F39BRSCHEMBL8761704DTXSID00191669NOILFIOPNUSERX-UHFFFAOYSA-N

Database identifiers

CAS: 383-21-1

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 134 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 537

Physicochemical properties

FDA UNII: 38 F39BR · PBE38F39BR
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 335 · H335-H318-H315
Precautionary statements: 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H335-H318-H315
Precautionary statements: P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Upstream & downstream products

Upstream raw materials

1-fluoro-4-(phenylsulphonyl)benzene 4-Fluorobenzenesulfonyl chloride

Related reactions

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Compound notes

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