Basic information
- CAS
2487-26-5- Standard SMILES
CCCC(=O)Oc1ccccc1[N+](=O)[O-]- InChIKey
DMBLCROMMOZRCN-UHFFFAOYSA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.06880783
Names & identifiers
- Preferred name
- Butanoic acid, 2-nitrophenyl ester
- IUPAC
- (2-nitrophenyl) butanoate
- English name
- o-Nitrophenyl n-butyrate
- Molecular formula
- C10H11NO4
- Molecular weight
- 209.2
Names & synonyms
2-Nitrophenyl butyrate2487-26-5Butanoic acid, 2-nitrophenyl esterNSC-404406Ortho-nitrophenyl butyrateDTXSID10179579N846YX974KRefChem:88737DTXCID20102070219-635-1o-Nitrophenyl butyrate(2-nitrophenyl) butanoate
Show more names
1956/10/1butyric acid (2-nitrophenyl) ester
2-nitrophenyl butanoateMFCD00036217o-Nitrophenyl n-butyrateo-Nitrophenyl-n-butyrate2-Nitrophenyl n-butyrateo-Nitrophenylbuo-NitrophenylbutyratEINECS 219-635-1
Database identifiers
- CAS
2487-26-5- PubChem CID
- 75600
- DTXSID
DTXSID10179579- UNII
- N846YX974K
- EC Number
- 219-635-1
- Nikkaji
- J191.974A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Boiling point
- 316.6 · 316.6±25.0 °C(Predicted)
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- light yellow liquid
- FDA UNII
- 846 YX974K · N846YX974K
- Symbol(GHS)
- 7 · GHS07
- Signal word
- warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
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
- Signal word
- warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
Chemistry & industry
Suppliers35 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕合生物化学技术有限公司13816464724 15900990114 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海道鞅科技有限公司QQ:3150471267 13381681725 · [email protected]
青岛凯亚隆医药科技有限公司053288191853 13061484198 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海寰川实业有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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