Basic information
- CAS
58605-12-2- Standard SMILES
COC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
HTANURMJHZJJSO-UHFFFAOYSA-N- Molecular formula
- C9H8N2O6
- Average molar mass
- 240.17 g/mol
- Monoisotopic mass
- 240.03823598
Names & identifiers
- Preferred name
- Methyl 2-(2,4-dinitrophenyl)acetate
- IUPAC
- methyl 2-(2,4-dinitrophenyl)acetate
- English name
- Methyl 2,4-dinitrophenylacetate
- Molecular formula
- C9H8N2O6
- Molecular weight
- 240.17
Names & synonyms
methyl 2-(2,4-dinitrophenyl)acetate58605-12-2Methyl 2,4-dinitrophenylacetatemethyl (2,4-dinitrophenyl)acetateMFCD00047704(2,4-Dinitro-phenyl)-acetic acid methyl esterBenzeneacetic acid, 2,4-dinitro-, methyl esterMethyl 2,4-dinitrobenzeneacetate2,4-dinitrophenylacetic acid methyl esterBenzeneacetic acid,2,4-dinitro-, methyl esterSCHEMBL2133926SCHEMBL29777188
Show more names
Cyclosporin Impurity 33Methyl 2,?4-?dinitrobenzeneacetat?emethyl 2-(2,4-dinitrophenyl)ethanoate2,4-Dichlorobenzyl Alcohol Impurity 442,4-dinitrophenylaceticacidmethylester2-(2,4-dinitrophenyl)acetic acid methyl ester
DTXSID40301523ALBB-023360methyl2-(2,4-dinitrophenyl)acetateNSC143979SBB071596AKOS003375803FH-0034NSC 143979
Database identifiers
- CAS
58605-12-2- PubChem CID
- 286146
- DTXSID
DTXSID40301523- Nikkaji
- J1.393.605F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Boiling point
- 362 · 362.0±27.0 °C(Predicted)
- Density
- 1.447 · 1.447±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers30 total
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Related reactions
6 records
Compound notes
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