| Identification | Back Directory | [Name]
BENZYL 4-NITROPHENYL CARBONATE | [CAS]
13795-24-9 | [Synonyms]
NSC 171047
p-Nitrophenyl benzyl carbonate
BENZYL 4-NITROPHENYL CARBONATE
4-Nitrophenyl benzyl carbonate
CARBONIC ACID BENZYL 4-NITROPHENYL ESTER
carbonicacid,4-nitrophenylphenylmethylester | [Molecular Formula]
C14H11NO5 | [MDL Number]
MFCD00007323 | [MOL File]
13795-24-9.mol | [Molecular Weight]
273.24 |
| Chemical Properties | Back Directory | [Melting point ]
78-80 °C(lit.)
| [Boiling point ]
438.3±45.0 °C(Predicted) | [density ]
1.326±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
sol ether, methanol, chloroform | [form ]
powder to crystal | [color ]
White to Light yellow | [InChI]
InChI=1S/C14H11NO5/c16-14(19-10-11-4-2-1-3-5-11)20-13-8-6-12(7-9-13)15(17)18/h1-9H,10H2 | [InChIKey]
QIXRWIVDBZJDGD-UHFFFAOYSA-N | [SMILES]
C(OCC1=CC=CC=C1)(=O)OC1=CC=C([N+]([O-])=O)C=C1 | [EPA Substance Registry System]
Carbonic acid, 4-nitrophenyl phenylmethyl ester (13795-24-9) |
| Hazard Information | Back Directory | [Uses]
Benzyl 4-nitrophenyl carbonate may be used in chemical synthesis. | [Purification Methods]
Dissolve the carbonate in Et2O, wash with H2O (3x) and saturated aqueous NaCl, dry (MgSO4), evaporate this in a vacuum and recrystallise the residue from a small volume of MeOH, m 78-79o. Alternatively dissolve it in Et2O, wash it with N HCl (2x), 0.5N NaHCO3 (4x) then H2O, dry (Na2SO4), evaporate the Et2O and recrystallise the residue from *C6H6/pet ether, m 79-80o. The 2-nitro-isomer has m 27-28o, b 151o/11mm. [Khosla et al. Indian J Chem 5 279 1967, Wolman et al. J Chem Soc (C) 596 1976, Beilstein 6 IV 2277.] |
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