N-Benzylidene-4-bromoaniline
Basic information
- CAS
780-20-1- Standard SMILES
Brc1ccc(N=Cc2ccccc2)cc1- InChIKey
DJGDQBWKJYPZEF-UHFFFAOYSA-N- Molecular formula
- C13H10BrN
- Average molar mass
- 260.13 g/mol
- Monoisotopic mass
- 258.99966
Names & identifiers
- Preferred name
- N-Benzylidene-4-bromoaniline
- IUPAC
- N-(4-bromophenyl)-1-phenylmethanimine
- English name
- 4-Bromo-N-benzylideneaniline
- Molecular formula
- C13H10BrN
- Molecular weight
- 260.13
Names & synonyms
N-Benzylidene-4-bromoanilineRefChem:829246667-640-6Benzylidene-p-bromoaniline780-20-14-Bromo-N-benzylideneanilineN-(4-bromophenyl)-1-phenylmethanimineN-Benzylidene-p-bromoanilineBenzenamine, 4-bromo-N-(phenylmethylene)-Aniline, N-benzylidene-p-bromo-Aniline, p-bromo-N-benzylidene-1-Bromobezene,4-benzylidenamino
Show more names
Benzylidene-(4-bromophenyl)-amine4-Bromo-N-[(E)-phenylmethylidene]aniline #p-Bromo-N-benzylideneaniline(E)-N-Benzylidene-4-bromoanilinep-bromobenzalanilineN-(4-Bromophenyl)benzenemethanimineNSC956004-Bromo-N-(phenylmethylene)benzenamine
Database identifiers
- CAS
780-20-1- PubChem CID
- 262176
- DTXSID
DTXSID001033959- EC Number
- 667-640-6
- Nikkaji
- J103.416B
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Melting point
- 67 °C · 67 °C
- Boiling point
- 165 · 165-166 °C(Press: 0.5 Torr)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 2.73 · 2.73±0.30(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H411
- Precautionary statements
- 264 · 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H411
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
3 records
Compound notes
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