Basic information
- Standard SMILES
O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1- InChIKey
GMKZBFFLCONHDE-UHFFFAOYSA-N- Molecular formula
- C13H9NO4
- Average molar mass
- 243.21 g/mol
- Monoisotopic mass
- 243.05315777
Names & identifiers
- Preferred name
- Benzoic acid, 4-nitrophenyl ester
- IUPAC
- (4-nitrophenyl) benzoate
- English name
- 4-NITROPHENYL BENZOATE
- Molecular formula
- C13H9NO4
- Molecular weight
- 243.21
Names & synonyms
4-Nitrophenyl benzoate959-22-8p-Nitrophenyl benzoateBenzoic acid, 4-nitrophenyl esterBenzoic acid, p-nitrophenyl esterNSC 408882AI3-19603DTXSID2061353RefChem:118468DTXCID0048975917-588-8(4-nitrophenyl) benzoate
Show more names
AURORA 65384-Nitrophenylbenzoate-97+%benzoicacid,4-nitrophenylester
4-nitrophenylbenzoateMFCD00135494Phenol, p-nitro-, benzoateNSC-408882benzoic acid 4-nitrophenyl esterbenzoic acid (4-nitrophenyl) esterSCHEMBL527544S92HK2U8Z7
Database identifiers
- CAS
959-22-8- PubChem CID
- 70396
- DTXSID
DTXSID2061353- ChEMBL
CHEMBL3272631- UNII
- S92HK2U8Z7
- EC Number
- 917-588-8
- Nikkaji
- J421.548F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 299
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 142 · 142-144°C
- Boiling point
- 399.5 · 399.5±25.0 °C(Predicted)
- Density
- 1.316 · 1.316±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Appearance
- White to off-white Solid
- BRN
- 2054709 · 2054709
- FDA UNII
- 92 HK2U8Z7 · S92HK2U8Z7
- EPA Substance Registry System
- 4 · Benzoic acid, 4-nitrophenyl ester (959-22-8)
- Safety Statements
- 22 · 22-24/25
- RTECS
- 8400000 · EL8400000
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
- rtecs
- EL8400000
- safety_code
- 22-24/25
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-nitrophenyl ester: INACTIVE
Suppliers27 total
苏州道澜生物医药科技有限公司15952404857 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
Syntechem Co.,Ltd[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]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
哈辉（上海）医药技术有限公司021-13472633-721 13472633721
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
3 records
Linked notes
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