Benzeneacetic acid, 2,4-dinitro-, ethyl ester
Basic information
- CAS
68084-17-3- Standard SMILES
CCOC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
GLXVIYXAYZPDSM-UHFFFAOYSA-N- Molecular formula
- C10H10N2O6
- Average molar mass
- 254.2 g/mol
- Monoisotopic mass
- 254.05388604
Names & identifiers
- Preferred name
- Benzeneacetic acid, 2,4-dinitro-, ethyl ester
- IUPAC
- ethyl 2-(2,4-dinitrophenyl)acetate
- English name
- BENZENEACETIC ACID, 2,4-DINITRO-, ETHYL ESTER
- Molecular formula
- C10H10N2O6
- Molecular weight
- 254.2
Names & synonyms
68084-17-3Benzeneacetic acid, 2,4-dinitro-, ethyl esterEthyl 2,4-dinitrophenylacetateethyl (2,4-dinitrophenyl)acetateTMX52WQD8Q2,4-Dinitrobenzeneacetic acid, ethyl esterEINECS 268-429-8DTXSID2071071RefChem:562832DTXCID9045504268-429-8ethyl 2-(2,4-dinitrophenyl)acetate
Show more names
GLXVIYXAYZPDSM-UHFFFAOYSA-N2,4-Dinitrophenylacetic acid ethyl ester2,4-Dinitrobenzeneacetic acid ethyl ester
UNII-TMX52WQD8QSCHEMBL492505AKOS005061602NS00036399
Database identifiers
- CAS
68084-17-3- PubChem CID
- 106546
- DTXSID
DTXSID2071071- UNII
- TMX52WQD8Q
- EC Number
- 268-429-8
- Nikkaji
- J289.035F
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Melting point
- 37 °C · 37 °C
- Boiling point
- 373.4 · 373.4±27.0 °C(Predicted)
- Density
- 1.393 · 1.393±0.06 g/cm3(Predicted)
- FDA UNII
- 52 WQD8Q · TMX52WQD8Q
- EPA Substance Registry System
- 2 · Benzeneacetic acid, 2,4-dinitro-, ethyl ester (68084-17-3)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzeneacetic acid, 2,4-dinitro-, ethyl ester: INACTIVE
Upstream & downstream products
Downstream products
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Related reactions
5 records
Compound notes
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