4-(Bromomethyl)benzil
Basic information
- CAS
18189-19-0- Standard SMILES
O=C(C(=O)c1ccc(CBr)cc1)c1ccccc1- InChIKey
QELAVTMDKHSMOP-UHFFFAOYSA-N- Molecular formula
- C15H11BrO2
- Average molar mass
- 303.15 g/mol
- Monoisotopic mass
- 301.99424
Names & identifiers
- Preferred name
- 4-(Bromomethyl)benzil
- IUPAC
- 1-[4-(bromomethyl)phenyl]-2-phenylethane-1,2-dione
- English name
- 4-(BROMOMETHYL)BENZIL
- Molecular formula
- C15H11BrO2
- Molecular weight
- 303.15
Names & synonyms
4-(Bromomethyl)benzil18189-19-04-BROMOMETHYLBENZIL1-[4-(bromomethyl)phenyl]-2-phenylethane-1,2-dione1-(4-(Bromomethyl)phenyl)-2-phenylethane-1,2-dione(4-(Bromomethyl)phenyl)phenylethanedioneEINECS 242-078-0Benzil-based compound, 24CHEMBL192241SCHEMBL1352549BDBM22746DTXSID70939499
Show more names
B**4-BROMOMETHYLBENZIL[4-(bromomethyl)phenyl]phenylethanedione1-[4-(Bromomethyl)phenyl]-2-phenylethanedione1-[4-(Bromomethyl)phenyl]-2-phenyl-1,2-ethanedione1-[4-(Bromomethyl)phenyl]-2-phenylethane-1,2-dione, 4-[Oxo(phenyl)acetyl]benzyl bromide
TAA18919MFCD00229012AKOS027383398DB-044448NS00055458C904211-[4-(bromomethyl)phenyl]-2-phenyl-ethane-1,2-dione1,2-Ethanedione, 1-[4-(bromomethyl)phenyl]-2-phenyl-
Database identifiers
- CAS
18189-19-0- PubChem CID
- 87502
- DTXSID
DTXSID70939499- ChEMBL
CHEMBL192241- EC Number
- 242-078-0
- Nikkaji
- J266.049K
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Melting point
- 67 · 67-68
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly, Sonicated)
- form
- Solid
- color
- Yellow
- Stability
- Moisture Sensitive
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H302+H312+H332
- Precautionary statements
- 280 · P280
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2914790090 · 2914790090
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
- hs_code
- 2914790090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335-H302+H312+H332
- Precautionary statements
- P280
Suppliers
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Related reactions
2 records
Compound notes
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