4,4'-Dimethylbenzophenone

HCID 69148CAS 611-97-2

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Basic information

Standard SMILES: Cc1ccc(C(=O)c2ccc(C)cc2)cc1
InChIKey: ZWPWLKXZYNXATK-UHFFFAOYSA-N
Molecular formula: C15H14O
Average molar mass: 210.27 g/mol
Monoisotopic mass: 210.10446507

Names & identifiers

Preferred name: 4,4'-Dimethylbenzophenone
IUPAC: bis(4-methylphenyl)methanone
English name: 4,4'-Dimethylbenzophenone
Molecular formula: C15H14O
Molecular weight: 210.27

Names & synonyms

4,4'-DimethylbenzophenoneBis(4-methylphenyl)methanoneDi-p-tolyl ketoneMethanone, bis(4-methylphenyl)-GI3DRY0THD4,4-Dimethylbenzophenonedi-p-tolyl-methanoneUNII-GI3DRY0THDNSC-1807EINECS 210-287-6NSC-371374,4'-dimethyl benzophenone

Show more names

Di-p-tolylmethanoneSKL272Bis-p-tolyl ketone4,4'-DimethylbenzophDi(4-methylphenyl) ketone4,4'-Carbonylbis(toluene)p,p'-Dimethylbenzophenone4,4'-DIMETHYL-BENZOPHENON

BIS(4-TOLYL)METHANONEDTXSID9060603BIS(4-METHYLPHENYL) KETONERefChem:96272DTXCID4042967ZWPWLKXZYNXATK-UHFFFAOYSA-N611-97-2p-Tolyl ketone

Database identifiers

CAS: 611-97-2
PubChem CID: 69148
DTXSID: DTXSID9060603
ChEMBL: CHEMBL1490173
UNII: GI3DRY0THD
EC Number: 210-287-6
Nikkaji: J136.484G

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 206

Physicochemical properties

Melting point: 90 · 90-93 °C(lit.)
Boiling point: 200 °C17 · 200 °C17 mm Hg(lit.)
Density: 1.0232 · 1.0232 (rough estimate)
refractive index: 1.5361 · 1.5361 (estimate)
Flash point: 200 °C/17mm · 200°C/17mm
storage temp.: Sealed in dry,Room Temperature
form: Crystalline Powder
color: Pale brown
Water Solubility: Insoluble in water.
BRN: 1240527 · 1240527
InChI: InChI=1S/C15H14O/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey: ZWPWLKXZYNXATK-UHFFFAOYSA-N
SMILES: C(C1=CC=C(C)C=C1)(C1=CC=C(C)C=C1)=O
CAS DataBase Reference: 611 · 611-97-2(CAS DataBase Reference)
FDA UNII: 3 DRY0THD · GI3DRY0THD
NIST Chemistry Reference: 4 · 4,4'-Dimethyl benzophenone(611-97-2)
EPA Substance Registry System: Methanone, bis(4-methylphenyl)- (611-97-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 261 · P261-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 22 · 22-24/25-36/37-26
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29143990 · 29143990
Storage Class: 11 · 11 - Combustible Solids