Basic information
- CAS
1156-50-9- Standard SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
BVHNGWRPAFKGFP-UHFFFAOYSA-N- Molecular formula
- C12H8N2O6S
- Average molar mass
- 308.27 g/mol
- Monoisotopic mass
- 308.01030715
Names & identifiers
- Preferred name
- Bis(4-nitrophenyl) sulphone
- IUPAC
- 1-nitro-4-(4-nitrophenyl)sulfonylbenzene
- English name
- Bis(4-nitrophenyl) sulfone
- Molecular formula
- C12H8N2O6S
- Molecular weight
- 308.27
Names & synonyms
Bis(4-nitrophenyl) sulphoneRefChem:568923214-589-9Bis(4-nitrophenyl) sulfone1156-50-9Bis(4-nitrophenyl)sulfone4-Nitrophenyl sulfoneBenzene, 1,1'-sulfonylbis[4-nitro-4,4'-Dinitrodiphenyl sulfoneDapsone Impurity 61-nitro-4-(4-nitrophenyl)sulfonylbenzeneBis(p-nitrophenyl) sulfone
Show more names
4-nitrophenylsulfoneDI-(P-NITROPHENYL)-SULFONDi(4-nitrophenyl) sulfonesulfone,bis(p-nitrophenyl)Bis(4-nitrophenyl) sulfone95%
1,1'-Sulfonylbis(4-nitrobenzene)1-nitro-4-(4-nitrobenzenesulfonyl)benzene4,4'-sulfonylbis(nitrobenzene)4,4'-DinitrodiphenylsulfoneMFCD00010447NSC-20609Benzene, 1,1'-sulfonylbis(4-nitro-NSC20609
Database identifiers
- CAS
1156-50-9- PubChem CID
- 70871
- DTXSID
DTXSID60151143- ChEMBL
CHEMBL215397- UNII
- WAV9B4UQ4D
- EC Number
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 447
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 178 · 178-185°C
- Boiling point
- 541.1 · 541.1±35.0 °C(Predicted)
- Density
- 1.53 · 1.530±0.06 g/cm3(Predicted)
- RTECS
- 4700000 · WR4700000
- storage temp.
- Refrigerator
- solubility
- Acetonitrile (Slightly), DMSO (Slightly)
- form
- Solid
- color
- White to Off-White
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 20 · 20/21/22
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- Yes
- hs_code
- 2930.90.2900
- risk_code
- 20/21/22
- Symbol(GHS)
- GHS07
- safety_code
- 22-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers38 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe
Related reactions
1 records
Compound notes
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