Butyl 2,4-dinitrophenyl carbonate
Basic information
- CAS
15741-91-0- Standard SMILES
CCCCOC(=O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
UKVCWXQPMRARHZ-UHFFFAOYSA-N- Molecular formula
- C11H12N2O7
- Average molar mass
- 284.22 g/mol
- Monoisotopic mass
- 284.06445073
Names & identifiers
- Preferred name
- Butyl 2,4-dinitrophenyl carbonate
- IUPAC
- butyl (2,4-dinitrophenyl) carbonate
- English name
- Carbonic acid 2,4-dinitrophenyl(butyl) ester
- Molecular formula
- C11H12N2O7
- Molecular weight
- 284.22
Names & synonyms
Butyl 2,4-dinitrophenyl carbonate15741-91-0DTXSID40935665RefChem:1080363DTXCID201364291CARBONIC ACID, BUTYL 2,4-DINITROPHENYL ESTERStauffer R-10669butyl (2,4-dinitrophenyl) carbonateR-10669ENT 27,364NSC 190961Carbonic acid 2,4-dinitrophenyl(butyl) ester
Show more names
ENT-27364NSC-190961Carbonic acid, butyl 2,4-dinitrophenyl ester (8CI)
Butyl-2,4-dinitrofenylester kyseliny uhlicite [Czech]V2N4XVV5ZFButyl-2,4-dinitrofenylester kyseliny uhlicite
Database identifiers
- CAS
15741-91-0- PubChem CID
- 27472
- DTXSID
DTXSID40935665- UNII
- V2N4XVV5ZF
- Nikkaji
- J33.959H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Melting point
- 47 °C · 47 °C
- Boiling point
- 417.741 · 417.741±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.376 · 1.376±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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Related reactions
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Compound notes
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