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1-Chloro-4-((4-nitrophenyl)sulfonyl)benzene

HCID 458974
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
39055-84-0
Standard SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIKey
ZKMJWBJCNUSXDO-UHFFFAOYSA-N
Molecular formula
C12H8ClNO4S
Average molar mass
297.71 g/mol
Monoisotopic mass
296.9862566

Names & identifiers

Preferred name
1-Chloro-4-((4-nitrophenyl)sulfonyl)benzene
IUPAC
1-(4-chlorophenyl)sulfonyl-4-nitrobenzene
English name
4-CHLORO-4'-NITRODIPHENYL SULPHONE
Molecular formula
C12H8ClNO4S
Molecular weight
297.71

Names & synonyms

39055-84-01-Chloro-4-((4-nitrophenyl)sulfonyl)benzenep-Chlorophenyl p-nitrophenyl sulfone1-(4-chlorophenyl)sulfonyl-4-nitrobenzene4'-Chloro-4-nitrodiphenyl Sulfone1-Chloro-4-[(4-nitrophenyl)sulfonyl]benzene4-Chloro-4'-nitrodiphenyl sulphoneSCHEMBL1149000DTXSID303325884-Chloro-4-nitrodiphenyl SulfoneZKMJWBJCNUSXDO-UHFFFAOYSA-NMFCD00043614
Show more names
4-NITRO-4-CHLORODIPHENYLSUL4-CHLORO-4'-NITRODIPHENYL SULFONE4-Chlorophenyl 4-nitrophenyl SulfoneBenzene, 1-chloro-4-[(4-nitrophenyl)sulfonyl]-4′-Chloro-4-nitrodiphenyl Sulfone, CAS 39055-84-0
AKOS0032357341-(4-chlorophenyl)sulfonyl-4-nitro-benzeneDB-354402(4-chloro-phenyl)-(4-nitro-phenyl)-sulfone1-(4-chlorobenzene sulfonyl)-4-nitrobenzeneST510073271-[(4-chlorophenyl)sulfonyl]-4-nitrobenzene1-Chloro-4-(4-nitrobenzene-1-sulfonyl)benzene

Database identifiers

CAS
39055-84-0

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
88.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Formal charge
0
Complexity
412

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

storage temp.
2 · 2-8°C

Chemistry & industry

Applications

Uses4’-Chloro-4-nitrodiphenyl sulfone is a substituted nitrophenyl sulfone used as immune adjuvant.

Uses4’-Chloro-4-nitrodiphenyl sulfone is a substituted nitrophenyl sulfone used as immune adjuvant.

Suppliers9 total

江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]

Related reactions

2 records
New reaction record
HRID 832924 reaction equation
HRID 832924As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1361466 reaction equation
HRID 1361466As productuspto-grants-2011_02

Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
PubChem CID
458974
DTXSID
DTXSID30332588
Nikkaji
J581.606H