Basic information
- CAS
329935-95-7- Standard SMILES
Oc1ccc(Br)cc1C=Nc1cccc(F)c1- InChIKey
KNHOJRWWRXNOHX-UHFFFAOYSA-N- Molecular formula
- C13H9BrFNO
- Average molar mass
- 294.12 g/mol
- Monoisotopic mass
- 292.98515
Names & identifiers
- Preferred name
- 4-bromo-2-{(E)-[(3-fluorophenyl)imino]methyl}phenol
- IUPAC
- 4-bromo-2-[(3-fluorophenyl)iminomethyl]phenol
- English name
- Phenol, 4-bromo-2-[[(3-fluorophenyl)imino]methyl]-
- Molecular formula
- C13H9BrFNO
- Molecular weight
- 294.12
Names & synonyms
4-bromo-2-{(E)-[(3-fluorophenyl)imino]methyl}phenol4-bromo-2-[(3-fluorophenyl)iminomethyl]phenol329935-95-7MFCD00503138STK900303AKOS005648607BS-10517ST0103092-[(1E)-2-(3-fluorophenyl)-2-azavinyl]-4-bromophenol4-BROMO-2-((3-FLUORO-PHENYLIMINO)-METHYL)-PHENOLPhenol, 4-bromo-2-[[(3-fluorophenyl)imino]methyl]-
Database identifiers
- CAS
329935-95-7- PubChem CID
- 710127
- EC Number
- 167-581-1
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Boiling point
- 404.2 · 404.2±45.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 7.61 · 7.61±0.43(Predicted)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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