CAS 643-65-2 3-Methylbenzophenone (HCID 69511)

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Basic information

CAS: 643-65-2
Standard SMILES: Cc1cccc(C(=O)c2ccccc2)c1
InChIKey: URBLVRAVOIVZFJ-UHFFFAOYSA-N
Molecular formula: C14H12O
Average molar mass: 196.24 g/mol
Monoisotopic mass: 196.088815

Names & identifiers

Preferred name: 3-Methylbenzophenone
IUPAC: (3-methylphenyl)-phenylmethanone
English name: 3-Methylbenzophenone
Molecular formula: C14H12O
Molecular weight: 196.24

Names & synonyms

3-Methylbenzophenone643-65-2Phenyl m-tolyl ketone3-Benzoyltoluenem-MethylbenzophenoneMethanone, (3-methylphenyl)phenyl-Phenyl 3-tolyl ketone(3-Methylphenyl)phenylmethanoneEINECS 211-401-77292QZ59E1DTXSID40214528RefChem:504144

Show more names

Phenyl(m-tolyl)M-METHYLBENZOPHENOKetoprofen Impurity 4LABOTEST-BB LT00159683

DTXCID70137019211-401-7Phenyl(m-tolyl)methanone3-Methyl-benzophenone(3-methylphenyl)-phenylmethanoneBenzophenone, 3-methyl-MFCD00008535(3-Methylphenyl)(phenyl)methanone

Database identifiers

CAS: 643-65-2
PubChem CID: 69511
DTXSID: DTXSID40214528
UNII: 7292QZ59E1
EC Number: 211-401-7
Nikkaji: J23.021I

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 215

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point: 2 °C · 2°C
Boiling point: 183 · 183-185 °C/16 mmHg (lit.)
Density: 1.095 g/mL · 1.095 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.597(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
solubility: Difficult to mix.
form: clear liquid
color: Colorless to Yellow to Green
Water Solubility: insoluble
BRN: 2045488 · 2045488
InChI: 1S/C14H12O/c1-11-6-5-9-13(10-11)14(15)12-7-3-2-4-8-12/h2-10H,1H3
InChIKey: URBLVRAVOIVZFJ-UHFFFAOYSA-N

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 70.7% (106 of 150) of all reports.

Warning

H373 (29.3%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, P273, P319, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 150 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.