Basic information
- CAS
63068-97-3- Standard SMILES
O=[N+]([O-])c1ccc(C(Cl)(Cl)c2ccccc2)cc1- InChIKey
QQXNXLXYPCALKG-UHFFFAOYSA-N- Molecular formula
- C13H9Cl2NO2
- Average molar mass
- 282.12 g/mol
- Monoisotopic mass
- 281.0010339
Names & identifiers
- Preferred name
- 1-(Dichlorophenylmethyl)-4-nitrobenzene
- IUPAC
- 1-[dichloro(phenyl)methyl]-4-nitrobenzene
- English name
- 1-(dichlorophenylmethyl)-4-nitrobenzene
- Molecular formula
- C13H9Cl2NO2
- Molecular weight
- 282.12
Names & synonyms
1-(Dichlorophenylmethyl)-4-nitrobenzene63068-97-3EINECS 263-837-2RefChem:74673263-837-21-[Dichloro(phenyl)methyl]-4-nitrobenzeneSCHEMBL10506969DTXSID40979004QQXNXLXYPCALKG-UHFFFAOYSA-Nphenyl-( 4-nitro-phenyl)-dichloro-methaneDB-300777NS00056471
Show more names
dichloro-(4-nitro-phenyl)-phenyl-methaneBenzene, 1-(dichlorophenylmethyl)-4-nitro-
Database identifiers
- CAS
63068-97-3- PubChem CID
- 12792425
- DTXSID
DTXSID40979004- EC Number
- 263-837-2
- Nikkaji
- J307.181B
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Melting point
- 55 · 55-57 °C
- Boiling point
- 405.5 · 405.5±45.0 °C(Predicted)
- Density
- 1.38 · 1.380±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
Alfa Chemistry+1-5166625404 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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