Basic information
- CAS
610-34-4- Standard SMILES
CCOC(=O)c1ccccc1[N+](=O)[O-]- InChIKey
CPNMAYYYYSWTIV-UHFFFAOYSA-N- Molecular formula
- C9H9NO4
- Average molar mass
- 195.17 g/mol
- Monoisotopic mass
- 195.05315777
Names & identifiers
- Preferred name
- Ethyl 2-nitrobenzoate
- IUPAC
- ethyl 2-nitrobenzoate
- English name
- ETHYL 2-NITROBENZOATE
- Molecular formula
- C9H9NO4
- Molecular weight
- 195.17
Names & synonyms
Ethyl 2-nitrobenzoateEthyl o-nitrobenzoateBenzoic acid, 2-nitro-, ethyl esterBenzoic acid, o-nitro-, ethyl esterAI3-04245EINECS 210-220-0DTXSID60209855NSC 4685RefChem:138628DTXCID10132346210-220-0CPNMAYYYYSWTIV-UHFFFAOYSA-N
Show more names
RARECHEM AL BI 0186ETHYL-O-NITROBENZOATELABOTEST-BB LT011484474-methylbenzenesulfonic acid 1-thiophen-2-ylpropan-2-yl ester
610-34-4MFCD0001469654605-16-22-Nitro-benzoic acid ethyl esterNSC-4685ethyl nitrobenzoate2-Nitrobenzoic acid ethyl esterNitrobenzoesaurea
Database identifiers
- CAS
610-34-4- PubChem CID
- 69123
- DTXSID
DTXSID60209855- UNII
- NJJ25B6JXT
- EC Number
- 210-220-0
- Nikkaji
- J136.388C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 26 · 26-30°C
- Boiling point
- 172 · 172-174°C 18mm
- Density
- 1.3544 · 1.3544 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- Flash point
- 172 · 172-174°C/18mm
- storage temp.
- Store at room temperature
- Appearance
- Colorless to light yellow Liquid
- Merck
- 14 · 14,3832
- BRN
- 2050729 · 2050729
- CAS DataBase Reference
- 610 · 610-34-4(CAS DataBase Reference)
- FDA UNII
- 25 B6JXT · NJJ25B6JXT
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 23 · 23-36/37/39
Safety & regulation
Safety data
- risk_code
- 20/21/22
- safety_code
- 23-36/37/39
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers26 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [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]
武汉易泰科技有限公司上海分公司18930552037 · [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]
上海缤马科技有限公司15262241608 · [email protected]
Related reactions
2 records
Compound notes
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