4-((4-Nitrophenyl)sulfonyl)benzenamine

HCID 74762
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Basic information

CAS
1948-92-1
Standard SMILES
Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIKey
DMZVYFFBWHBWMO-UHFFFAOYSA-N
Molecular formula
C12H10N2O4S
Average molar mass
278.29 g/mol
Monoisotopic mass
278.03612798

Names & identifiers

Preferred name
4-((4-Nitrophenyl)sulfonyl)benzenamine
IUPAC
4-(4-nitrophenyl)sulfonylaniline
English name
4-NITRO-4'-AMINODIPHENYL SULFONE
Molecular formula
C12H10N2O4S
Molecular weight
278.28

Names & synonyms

1948-92-14-((4-Nitrophenyl)sulfonyl)aniline4-Nitro-4'-aminodiphenyl sulfoneNADSGE77AYQ4NX4-[(4-Nitrophenyl)sulfonyl]anilineNSC-271854-[(4-nitrophenyl)sulfonyl]BenzenamineBenzenamine, 4-((4-nitrophenyl)sulfonyl)-DTXSID40751624-((4-Nitrophenyl)sulfonyl)benzenamineRefChem:514465
Show more names
NSC 27185Dapsone Impurity 15(4-Aminophenyl)4-nitrophenyl sulfone4-(4-Nitrobenzenesulfonyl)phenylaMine[4-(4-nitrophenyl)sulfonylphenyl]amineBENZENAMINE, 4-[(4-NITROPHENYL)SULFONYL]-
DTXCID30361054-(4-nitrophenyl)sulfonylaniline4-(4-Nitrophenylsulfonyl)aniline4-(4-nitrobenzenesulfonyl)anilineBenzenamine,4-[(4-nitrophenyl)sulfonyl]-{4-[(4-nitrophenyl)sulfonyl]phenyl}amineMFCD000106484-Nitro-4'-aminodiphenylsulfone

Database identifiers

CAS
1948-92-1
PubChem CID
74762
DTXSID
DTXSID4075162
ChEMBL
CHEMBL342457
UNII
GE77AYQ4NX
EC Number
606-323-9
Nikkaji
J31.793D

Properties

Computed structural properties

XLogP
2
Topological polar surface area
114 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
19

Physicochemical properties

Melting point
155 · 155-157°C
Boiling point
526.5 · 526.5±35.0 °C(Predicted)
Density
1.449 · 1.449±0.06 g/cm3(Predicted)
storage temp.
Refrigerator, Under Inert Atmosphere
solubility
soluble in DMSO, Methanol
form
Solid

Safety & regulation

GHS classification

GHS ClassificationNot Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationStatus: Active Update: 17-10-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18188
Hazard Classes and CategoriesNot Classified

Regulatory information

Regulatory InformationStatus: Active Update: 17-10-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18188

Safety data

hs_code
2930909899
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-37/39

Chemistry & industry

Applications

UsesAn intermediate in the synthesis of the Daspone metabolite.

Suppliers17 total

宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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