Basic information
- CAS
70091-75-7- Standard SMILES
CCOC(=O)C(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
ZFCXKZCKJZFZGR-UHFFFAOYSA-N- Molecular formula
- C10H9NO5
- Average molar mass
- 223.18 g/mol
- Monoisotopic mass
- 223.04807239
Names & identifiers
- Preferred name
- Ethyl 4-nitrophenylglyoxylate
- IUPAC
- ethyl 2-(4-nitrophenyl)-2-oxoacetate
- English name
- Ethyl 4-nitrophenylglyoxylate
- Molecular formula
- C10H9NO5
- Molecular weight
- 223.18
Names & synonyms
ethyl 2-(4-nitrophenyl)-2-oxoacetate70091-75-7Ethyl 4-nitrophenylglyoxylateEthyl (4-nitrophenyl)(oxo)acetateEthyl 4-nitrobenzoylformateMFCD00051841(4-nitro-phenyl)-oxo-acetic acid ethyl esterethyl p-nitrophenylglyoxylateethyl-4-nitrophenylglyoxylateSCHEMBL478613SCHEMBL2666687DTXSID00334933
Show more names
Ethyl 4-nitrophenylglyoxylate, 98+%4-nitrophenylglyoxylic acid ethyl ester2-(4-nitrophenyl)-2-oxoacetic acid ethyl esterBenzeneacetic acid, 4-nitro-α-oxo-, ethyl esterEthyl 4-nitrobenzoylformate~4-Nitrophenylglyoxylic acid ethyl ester
ethyl(4-nitrophenyl)(oxo)acetateEthyl (4-nitrophenyl)(oxo)acetate #ethyl2-(4-nitrophenyl)-2-oxoacetateAKOS024348951ethyl 2-(4-nitrophenyl)-2-oxo-acetateAS-44427DB-055376CS-0113067
Database identifiers
- CAS
70091-75-7- PubChem CID
- 522372
- DTXSID
DTXSID00334933
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 288
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 40 · 40-42°C
- Boiling point
- 152 · 152-157°C 0,5mm
- Flash point
- 152 · 152-157°C/0.5mm
- storage temp.
- Store at room temperature
- Appearance
- Light yellow to yellow Solid
- BRN
- 2652331 · 2652331
- Safety Statements
- 22 · 22-24/25
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
- safety_code
- 22-24/25
Chemistry & industry
Suppliers37 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
Related reactions
7 records
Compound notes
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