Basic information
- CAS
10066-19-0- Standard SMILES
O=[N+]([O-])c1ccc(Cl)cc1NCc1ccccc1- InChIKey
QNBUOSQMMPVAOB-UHFFFAOYSA-N- Molecular formula
- C13H11ClN2O2
- Average molar mass
- 262.69 g/mol
- Monoisotopic mass
- 262.0509053
Names & identifiers
- Preferred name
- N-benzyl-5-chloro-2-nitroaniline
- IUPAC
- N-benzyl-5-chloro-2-nitroaniline
- English name
- N-benzyl-5-chloro-2-nitroaniline
- Molecular formula
- C13H11ClN2O2
- Molecular weight
- 262.69
Names & synonyms
N-benzyl-5-chloro-2-nitroaniline10066-19-0DTXSID20386631RefChem:363346DTXCID70337653Benzenemethanamine, N-(5-chloro-2-nitrophenyl)-N-benzyl-N-(2-nitro-5-chlorophenyl) amineCBMicro_032456Oprea1_149010SCHEMBL6474912QNBUOSQMMPVAOB-UHFFFAOYSA-NSTK032762
Show more names
AKOS000291470BIM-0032458.P001AN-584/12282002SR-01000219543SR-01000219543-1
Database identifiers
- CAS
10066-19-0- PubChem CID
- 2867656
- DTXSID
DTXSID20386631
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Melting point
- 101 °C · 101 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 415.2 · 415.2±35.0 °C(Predicted)
- Density
- 1.358 · 1.358±0.06 g/cm3(Predicted)
- pka
- -1.34 · -1.34±0.10(Predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
4 records
Compound notes
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