3-(Bromomethyl)benzophenone

HCID 89586CAS 22071-24-5

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Basic information

Standard SMILES: O=C(c1ccccc1)c1cccc(CBr)c1
InChIKey: SZJQXQICJDHRJE-UHFFFAOYSA-N
Molecular formula: C14H11BrO
Average molar mass: 275.14 g/mol
Monoisotopic mass: 273.99932707

Names & identifiers

Preferred name: 3-(Bromomethyl)benzophenone
IUPAC: [3-(bromomethyl)phenyl]-phenylmethanone
English name: 3-Benzoylbenzyl bromide
Molecular formula: C14H11BrO
Molecular weight: 275.14

Names & synonyms

22071-24-53-Benzoylbenzyl bromide3-(Bromomethyl)benzophenoneEINECS 244-761-9DTXSID70176564RefChem:494472DTXCID2099055244-761-9(3-(Bromomethyl)phenyl)(phenyl)methanone3-Bromomethylbenzophenone[3-(bromomethyl)phenyl](phenyl)methanone[3-(bromomethyl)phenyl]-phenylmethanone

Show more names

1-[3-(Bromomethyl)phenyl]-1-phenylmethanone 3-Benzoylbenzyl bromide

3-BENZOYLBENZYLBROMIDEMethanone, [3-(bromomethyl)phenyl]phenyl-MFCD00044727m-phenylcarbonylbenzyl bromidem-(Bromomethyl)benzophenone(3-BROMOMETHYL-PHENYL)-PHENYL-METHANONE3-bromomethyl-benzophenoneSCHEMBL435297

Database identifiers

CAS: 22071-24-5
PubChem CID: 89586
DTXSID: DTXSID70176564
EC Number: 244-761-9
Nikkaji: J23.046D

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 233

Physicochemical properties

Melting point: 67 °C · 67°C
Boiling point: 128 °C/4mm · 128°C/4mm
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly, Heated)
form: Solid
color: White to Light Orange
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P305+P351+P338-P310
Hazard Codes: C
HazardClass: LACHRYMATOR, CORROSIVE
HS Code: 2914790090 · 2914790090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.