Phenylmethyl 4-nitrobenzoate

HCID 84647

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Basic information

CAS: 14786-27-7
Standard SMILES: O=C(OCc1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIKey: XCQFGJYVKKCUFX-UHFFFAOYSA-N
Molecular formula: C14H11NO4
Average molar mass: 257.24 g/mol
Monoisotopic mass: 257.06880783

Names & identifiers

Preferred name: Phenylmethyl 4-nitrobenzoate
IUPAC: benzyl 4-nitrobenzoate
English name: benzyl 4-nitrobenzoate
Molecular formula: C14H11NO4
Molecular weight: 257.24

Names & synonyms

Benzyl 4-nitrobenzoate14786-27-7DTXSID40163820RefChem:1095050Phenylmethyl 4-nitrobenzoateDTXCID8086311238-854-3Benzyl p-nitrobenzoateBenzoic acid, 4-nitro-, phenylmethyl esterBenzoic acid, p-nitro-, benzyl esterEINECS 238-854-3benzyl 4-nitro-benzoate

Show more names

4-Nitrobenzoic acid benzyl ester

AI3-08669SCHEMBL5231544-Nitrobenzoic acid, benzyl esterBenzoic acid, 4-nitro, benzyl esterNSC406869AKOS003442168NSC 406869NSC-406869

Database identifiers

CAS: 14786-27-7
PubChem CID: 84647
DTXSID: DTXSID40163820
EC Number: 238-854-3
Nikkaji: J146.485J

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 72.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 312

Chemistry & industry

Applications

UsesBenzyl 4-Nitrobenzoate is used as a sensitizer and a dye in thermal recording sheets. It is also used in the hydrogenation of carbon/diphenyl sulfide complex.