Basic information
- CAS
49592-71-4- Standard SMILES
COC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1- InChIKey
GQPWXQIRPQMEIJ-UHFFFAOYSA-N- Molecular formula
- C9H8N2O6
- Average molar mass
- 240.17 g/mol
- Monoisotopic mass
- 240.03823598
Names & identifiers
- Preferred name
- Methyl 4-methyl-3,5-dinitrobenzoate
- IUPAC
- methyl 4-methyl-3,5-dinitrobenzoate
- English name
- 4-Methyl-3,5-dinitro methyl benzoate
- Molecular formula
- C9H8N2O6
- Molecular weight
- 240.17
Names & synonyms
methyl 4-methyl-3,5-dinitrobenzoate49592-71-4MFCD00451040Benzoic acid, 4-methyl-3,5-dinitro-, methyl estermethyl 4-methyl-3,5-dinitro-benzoateSCHEMBL989006DTXSID10402430GQPWXQIRPQMEIJ-UHFFFAOYSA-NALBB-023603Methyl 4-Methyl-35-dinitrobenzoateSTK365759AKOS005442750
Show more names
ZINC031611414-Methyl-3,5-dinitro methyl benzoate
AC-3021CS-11036SY0035874-Methyl-3,5-dinitro-benzoicacidmethylesterCS-0213082ST45022005EN300-1605204-Methyl-3,5-dinitro-benzoic Acid, Methyl Ester
Database identifiers
- CAS
49592-71-4- PubChem CID
- 4366501
- DTXSID
DTXSID10402430- Nikkaji
- J379.533K
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Boiling point
- 359.8 · 359.8±37.0 °C(Predicted)
- Density
- 1.435 · 1.435±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- White to off-white Solid
Chemistry & industry
Applications
UsesMethyl 4-methyl-3,5-dinitrobenzoate is a synthetic molecule that is used as a starting material for the synthesis of lichen substances.
Upstream & downstream products
Downstream products
Suppliers29 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [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]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海辅欣医药科技有限公司
Related reactions
6 records
Compound notes
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