Basic information
- CAS
1401423-31-1- Standard SMILES
COc1cc(C(=O)O)c(C)cc1[N+](=O)[O-]- InChIKey
ZGKYHGDVUJUNOW-UHFFFAOYSA-N- Molecular formula
- C9H9NO5
- Average molar mass
- 211.17 g/mol
- Monoisotopic mass
- 211.04807239
Names & identifiers
- Preferred name
- 5-Methoxy-2-methyl-4-nitrobenzoic acid
- IUPAC
- 5-methoxy-2-methyl-4-nitrobenzoic acid
- English name
- 5-Methoxy-2-methyl-4-nitrobenzoic acid
- Molecular formula
- C9H9NO5
- Molecular weight
- 211.17146
Names & synonyms
5-METHOXY-2-METHYL-4-NITROBENZOIC ACID1401423-31-1MFCD26407100Benzoic acid, 5-methoxy-2-methyl-4-nitro-SCHEMBL10341213SCHEMBL30180164Benzenesulfonylchloride,7-ethoxy-ZGKYHGDVUJUNOW-UHFFFAOYSA-NDTXSID201281740AKOS0273324455-methoxy-2-methyl-4-nitro-benzoic acidAS-42344
Show more names
5-METHOXY-2-METHYL-4-NITROBENZOIC ACID ISO 9001：2015 REACH
SY243025DB-118471CS-01533055-METHOXY-2-METHYL-4-NITROBENZOICACIDF3333995-METHOXY-2-METHYL-4-NITROBENZOIC ACID ISO 90012015 REACH
Database identifiers
- CAS
1401423-31-1- PubChem CID
- 20161845
- DTXSID
DTXSID201281740
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 416.1 · 416.1±45.0 °C(Predicted)
- Density
- 1.37 · 1.370±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 2.83 · 2.83±0.13(Predicted)
- Appearance
- Off-white to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers28 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
北京依特能化学科技有限责任公司010-59484199 18611897322;18611897322 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
百科源(成都)科技有限公司15021461747 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
温州共赢化学有限公司0577-64498589 15325081899 · [email protected]
河南普赛化工产品有限公司
Related reactions
4 records
Compound notes
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