Basic information
- CAS
31515-43-2- Standard SMILES
O=[N+]([O-])c1ccccc1S(=O)(=O)c1ccccc1- InChIKey
GKNMUCPEXSCGKC-UHFFFAOYSA-N- Molecular formula
- C12H9NO4S
- Average molar mass
- 263.27 g/mol
- Monoisotopic mass
- 263.02522894
Overview
inhibits HIV-1 reverse transcriptase; structure given in first source
Names & identifiers
- Preferred name
- 2-Nitrophenyl phenyl sulfone
- IUPAC
- 1-(benzenesulfonyl)-2-nitrobenzene
- English name
- 2-Nitrophenyl phenyl sulfone
- Molecular formula
- C12H9NO4S
- Molecular weight
- 263.27
Names & synonyms
31515-43-21-Nitro-2-(phenylsulfonyl)benzene2-Nitrophenyl phenyl sulfone2'-NitrophenylphenylsulfoneBenzene, 1-nitro-2-(phenylsulfonyl)-o-Nitrophenyl phenyl sulfoneSulfone, o-nitrophenyl phenylDYJ48D3NKTNSC-624231NSC 624231DTXSID80932234RefChem:910145
Show more names
2-Nitrophenyl phenylO-NITRO DIPHENYL SULFONE2-NITROPHENYL PHENYL SULPHONE2-NitrophenylPhenylSulfone>1-(2-nitrophenylsulfonyl)benzene2-Nitrophenyl phenyl sulphone 98%
DTXCID801360928250-672-61-(benzenesulfonyl)-2-nitrobenzene2-Nitrodiphenyl Sulfone2-Nitro diphenyl sulfone1-Nitro-2-(phenylsulphonyl)benzeneMFCD000359212NO2Ph-SO2-Ph
Database identifiers
- CAS
31515-43-2- PubChem CID
- 64984
- DTXSID
DTXSID80932234- ChEMBL
CHEMBL291558- UNII
- DYJ48D3NKT
- EC Number
- 250-672-6
- Nikkaji
- J278.131J
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
- 389
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Solubility>39.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 145 · 145-148 °C(lit.)
- Boiling point
- 462.3 · 462.3±28.0 °C(Predicted)
- Density
- 1.388 · 1.388±0.06 g/cm3(Predicted)
- form
- powder to crystal
- color
- White to Orange to Green
- CAS DataBase Reference
- 31515 · 31515-43-2(CAS DataBase Reference)
- FDA UNII
- 48 D3NKT · DYJ48D3NKT
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
- WGK Germany
- 3 · 3
- HS Code
- 29309090 · 29309090
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
- wgk
- 3
- hs_code
- 29309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers54 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [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]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [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 Europe320-37350700 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
湖北美钡新材料有限公司18271819653 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
湖北世腾化工科技有限公司19086915685 18971850150 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 400821072 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
浙江寿尔福化工贸易有限公司0571-88906230 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
SHANGHAI YOUNG-CHEM CHEMICAL CO., LTD.13817489192 · [email protected]
湖南永齐化工有限公司0731-85561035 13319583233 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
山东天铭生物科技发展有限责任公司400-9019001 400-901-9001
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…