2,4-Dinitrophenyl acetate
Basic information
- CAS
4232-27-3- Standard SMILES
CC(=O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
CDMLJWCAUSWULM-UHFFFAOYSA-N- Molecular formula
- C8H6N2O6
- Average molar mass
- 226.14 g/mol
- Monoisotopic mass
- 226.02258592
Names & identifiers
- Preferred name
- 2,4-Dinitrophenyl acetate
- IUPAC
- (2,4-dinitrophenyl) acetate
- English name
- 2,4-Dinitrophenyl acetate,95%
- Molecular formula
- C8H6N2O6
- Molecular weight
- 226.14
Names & synonyms
2,4-DINITROPHENYL ACETATE4232-27-3Phenol, 2,4-dinitro-, acetate (ester)Phenol, 2,4-dinitro-, 1-acetatePhenol, 2,4-dinitro-, acetateEINECS 224-189-6NSC 99812NSC-99812AI3-00482917I71M979DTXSID9063372RefChem:443838
Show more names
2,4-dinitrophenol acetate2.4-Dinitro-1-acetoxy-benzol2,4-Dinitrophenyl acetate,95%2,4-DINITROPHENYL ACETATE 95%2,4-dinitro-phenoacetate(ester)Acetic acid 2,4-dinitrophenyl ester
Phenol, 2,4dinitro, 1acetateDTXCID5040091Phenol, 2,4dinitro, acetate (ester)224-189-6(2,4-dinitrophenyl) acetateMFCD00041876UNII-917I71M979NSC99812
Database identifiers
- CAS
4232-27-3- PubChem CID
- 20224
- DTXSID
DTXSID9063372- UNII
- 917I71M979
- EC Number
- 224-189-6
- Nikkaji
- J205.657G
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 307
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
Physical DescriptionYellow solid; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- 69 °C · 69 °C
- Boiling point
- 367.74 °C · 367.74°C (rough estimate)
- Density
- 1.6136 · 1.6136 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- White to off-white Solid
- FDA UNII
- 917 I71M979 · 917I71M979
- EPA Substance Registry System
- 2 · Phenol, 2,4-dinitro-, acetate (ester) (4232-27-3)
- 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.
Hazard information
Hazards SummaryMay cause irritation; [Acros Organics MSDS] See Phenylacetic acid. See p-Nitrophenylacetic acid.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2,4-dinitro-, 1-acetate: INACTIVE
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Compound notes
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