Basic information
- CAS
1146-39-0- Standard SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)c2ccccc2)cc1- InChIKey
OECHJYYZMSUILG-UHFFFAOYSA-N- Molecular formula
- C12H9NO4S
- Average molar mass
- 263.27 g/mol
- Monoisotopic mass
- 263.02522894
Names & identifiers
- Preferred name
- 4-Nitrophenyl phenyl sulfone
- IUPAC
- 1-(benzenesulfonyl)-4-nitrobenzene
- English name
- 4-Nitrodiphenyl sulfone
- Molecular formula
- C12H9NO4S
- Molecular weight
- 263.27
Names & synonyms
4-Nitrophenyl phenyl sulfoneRefChem:526000634-556-61-Nitro-4-(phenylsulfonyl)benzene1146-39-04-nitrodiphenyl sulfone1-(benzenesulfonyl)-4-nitrobenzeneBenzene, 1-nitro-4-(phenylsulfonyl)-4-NitrodiphenylsulfoneMFCD000436161-(benzenesulfonyl)-4-nitro-benzene4-nitro-1-(phenylsulfonyl)benzene
Show more names
TIMTEC-BB SBB0080804-NITRODIPHENYL SULPHONEphenyl 4-nitrophenyl sulfone4-nitrophenylsulfonylbenzene1-(Phenylsulfonyl)-4-nitrobenzene
p-Nitrophenyl phenyl sulfoneSCHEMBL971359SCHEMBL971361SCHEMBL3895943SCHEMBL6966187DTXSID60150792OECHJYYZMSUILG-UHFFFAOYSA-NNSC87340
Database identifiers
- CAS
1146-39-0- PubChem CID
- 96708
- DTXSID
DTXSID60150792- EC Number
- 634-556-6
- Nikkaji
- J257.961H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 381
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 141 · 141-142°C
- Boiling point
- 461.5 · 461.5±28.0 °C(Predicted)
- Density
- 1.388 · 1.388±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- BRN
- 2055217 · 2055217
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
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
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Dam. 1 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers23 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [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]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
广东谦进化学试剂有限公司0751-2818792 13435114148 · [email protected]
江苏艾康生物医药研发有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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