Basic information
- CAS
215659-03-3- Standard SMILES
COC(=O)c1cc(O)c(OC)cc1[N+](=O)[O-]- InChIKey
ZKUUVVYMPUDTGJ-UHFFFAOYSA-N- Molecular formula
- C9H9NO6
- Average molar mass
- 227.17 g/mol
- Monoisotopic mass
- 227.04298701
Names & identifiers
- Preferred name
- Methyl 5-hydroxy-4-methoxy-2-nitrobenzoate
- IUPAC
- methyl 5-hydroxy-4-methoxy-2-nitrobenzoate
- English name
- Methyl 5-hydroxy-4-methoxy-2-nitrobenzoate
- Molecular formula
- C9H9NO6
- Molecular weight
- 227.17
Names & synonyms
methyl 5-hydroxy-4-methoxy-2-nitrobenzoate215659-03-3DTXSID00694261RefChem:1089491DTXCID40645010MFCD17168870n-PropylMagnesiuMchlorideBenzoic acid, 5-hydroxy-4-methoxy-2-nitro-, methyl ester5-Hydroxy-4-methoxy-2-nitro-benzoic acid methyl esterMethyl 5-hydroxy-4-methoxy-2-nitro-benzoateMethyl5-hydroxy-4-methoxy-2-nitrobenzoateSCHEMBL1013315
Show more names
2-NITRO-4-METHOXY-5-HYDROXY METHYLBENZOATEMethyl 5-hydroxy-4-Methoxy-3-nitrobenzoateGEFITINIB - METHYL 5-HYDROXY - 4-METHOXY-2- NITROBENZOATE
ZKUUVVYMPUDTGJ-UHFFFAOYSA-NAKOS015856258AF-0712SY276576DB-352098CS-0133669Methyl 5-hydroxy-4-Methoxy-3-nitrobenzoateD82295
Database identifiers
- CAS
215659-03-3- PubChem CID
- 53396387
- DTXSID
DTXSID00694261
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Boiling point
- 419.5 · 419.5±45.0 °C(Predicted)
- Density
- 1.405 · 1.405±0.06 g/cm3(Predicted)
- Flash point
- 146 °C · 146 °C
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 6.2 · 6.20±0.24(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C9H9NO6/c1-15-8-4-6(10(13)14)5(3-7(8)11)9(12)16-2/h3-4,11H,1-2H3
- InChIKey
- ZKUUVVYMPUDTGJ-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)C1=CC(O)=C(OC)C=C1[N+]([O-])=O
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314-H370-H372-H373-H317-H334-H402
- Precautionary statements
- 501 · P501-P273-P272-P260-P270-P264-P280-P284-P308+P311-P362+P364-P303+P361+P353-P333+P313-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405
- HS Code
- 2918300090 · 2918300090
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
- hs_code
- 2918300090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS08
- Hazard statements
- H302-H314-H370-H372-H373-H317-H334-H402
- Precautionary statements
- P501-P273-P272-P260-P270-P264-P280-P284-P308+P311-P362+P364-P303+P361+P353-P333+P313-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405
Chemistry & industry
Applications
DescriptionMethyl 5-hydroxy-4-methoxy-2-nitrobenzoate is an organic compound with the ability to induce apoptosis in cancer cells.
Upstream & downstream products
Downstream products
Suppliers43 total
巨野现代精细化工有限公司+86-18958038633; +86-18958038633 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
潍坊鼎弘医药科技有限公司18663683121 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
南京弗思特医药科技有限公司025-83172655 13585105703 · [email protected]
Related reactions
18 records
Compound notes
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