Basic information
- CAS
10480-34-9- Standard SMILES
Clc1ccccc1C=Nc1ccc(Br)cc1- InChIKey
WVTOIXOAFYERPY-UHFFFAOYSA-N- Molecular formula
- C13H9BrClN
- Average molar mass
- 294.57 g/mol
- Monoisotopic mass
- 292.96069
Overview
See also: 4-Bromo-N-(2-chlorobenzylidene)aniline (annotation moved to).
Names & identifiers
- Preferred name
- 4-bromo-N-[(E)-(2-chlorophenyl)methylidene]aniline
- IUPAC
- N-(4-bromophenyl)-1-(2-chlorophenyl)methanimine
- English name
- 4-Bromo-N-(2-chlorobenzylidene)aniline
- Molecular formula
- C13H9BrClN
- Molecular weight
- 294.57
Names & synonyms
N-(4-bromophenyl)-1-(2-chlorophenyl)methanimine4-bromo-N-[(E)-(2-chlorophenyl)methylidene]anilineST401620410480-34-9CHEMBL2261525SCHEMBL11404116SCHEMBL11404117DTXSID50351079(E)-N-(4-BROMOPHENYL)-1-(2-CHLOROPHENYL)METHANIMINESTK730421AKOS0017214674-bromo-N-(2-chlorobenzylidene)aniline
Show more names
Benzenamine, 4-bromo-N-[(2-chlorophenyl)methylene]-
(E)-4-Bromo-N-(2-chlorobenzylidene)aniline(e)-4-bromo-N-(2-chlorobenzylidene)-anilineCS-001/03836062(1E)-1-(4-bromophenyl)-2-(2-chlorophenyl)-1-azaethene
Database identifiers
- CAS
10480-34-9- PubChem CID
- 690146
- DTXSID
DTXSID50351079- ChEMBL
CHEMBL2261525- Nikkaji
- J2.283.508D、J3.603.493I
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Melting point
- 66 · 66-67.5 °C
- Boiling point
- 390.6 · 390.6±27.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 2.34 · 2.34±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H410
- Precautionary statements
- 273 · P273-P391-P501-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H410
- Precautionary statements
- P273-P391-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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