4-[2-(4-Bromophenyl)ethenyl]benzaldehyde
Basic information
- CAS
176674-10-5- Standard SMILES
O=Cc1ccc(C=Cc2ccc(Br)cc2)cc1- InChIKey
HLPFHEPKRGKOMT-UHFFFAOYSA-N- Molecular formula
- C15H11BrO
- Average molar mass
- 287.15 g/mol
- Monoisotopic mass
- 285.99933
Names & identifiers
- Preferred name
- 4-[2-(4-Bromophenyl)ethenyl]benzaldehyde
- IUPAC
- 4-[2-(4-bromophenyl)ethenyl]benzaldehyde
- English name
- 4-[2-(4-Bromophenyl)ethenyl]benzaldehyde
- Molecular formula
- C15H11BrO
- Molecular weight
- 287.15
Names & synonyms
4-[2-(4-Bromophenyl)ethenyl]benzaldehyde4-(2-(4-Bromophenyl)ethenyl)benzaldehydeRefChem:511823SCHEMBL21457099DTXSID2012762064′-Bromo-4-formylstilbene4′-Bromostilbene-4-carboxaldehyde4'-Bromostilbene-4-carboxaldehyde 97%Benzaldehyde, 4-[2-(4-bromophenyl)ethenyl]-
Database identifiers
- CAS
176674-10-5- PubChem CID
- 85437233
- DTXSID
DTXSID201276206
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Melting point
- 148 · 148-152°C
- Boiling point
- 412.9 · 412.9±24.0 °C(Predicted)
- Density
- 1.432 · 1.432±0.06 g/cm3(Predicted)
- form
- solid
- InChI
- 1S/C15H11BrO/c16-15-9-7-13(8-10-15)2-1-12-3-5-14(11-17)6-4-12/h1-11H/b2-1+
- InChIKey
- HLPFHEPKRGKOMT-OWOJBTEDSA-N
- SMILES
- [H]C(C(C=C1)=CC=C1/C=C/C2=CC=C(Br)C=C2)=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H412
- Precautionary statements
- 273 · P273-P280
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43-52
- Safety Statements
- 36 · 36/37
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
- wgk
- 3
- risk_code
- 43-52
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 36/37
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H317-H412
- Hazard Classifications
- Aquatic Chronic 3Skin Sens. 1
- Precautionary statements
- P273-P280
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Compound notes
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