(4-Methoxyphenyl)(4-methylphenyl)methanone

HCID 32113CAS 23886-71-7

Substructure search Find similar structures

Basic information

Standard SMILES: COc1ccc(C(=O)c2ccc(C)cc2)cc1
InChIKey: IHMWJDNMIIEDDN-UHFFFAOYSA-N
Molecular formula: C15H14O2
Average molar mass: 226.27 g/mol
Monoisotopic mass: 226.09937969

Names & identifiers

Preferred name: (4-Methoxyphenyl)(4-methylphenyl)methanone
IUPAC: (4-methoxyphenyl)-(4-methylphenyl)methanone
English name: 4-Methoxy-4'-methylbenzophenone
Molecular formula: C15H14O2
Molecular weight: 226.27

Names & synonyms

(4-methoxyphenyl)(4-methylphenyl)methanoneRefChem:402952839-795-123886-71-74-Methoxy-4'-methylbenzophenone(4-Methoxyphenyl)(p-tolyl)methanone(4-methoxyphenyl)-(4-methylphenyl)methanoneMFCD00025812BENZOPHENONE, 4-METHOXY-4'-METHYL-(4-Methoxy-phenyl)-p-tolyl-methanoneNSC 1633574-(4-Methylbenzoyl)anisole

Show more names

4-METHOXY-4'-METHYLBENMETHANONE,(4-METHOXYPHENYL)Methanone, (4-methoxyphenyl)(4-methylphenyl)-(4-Methoxyphenyl)(p-tolyl)methanone, 4-(4-Methylbenzoyl)anisole

BRN 2049977NSC163357SCHEMBL7585774-methyl-4'methoxybenzophenoneRARECHEM AM UC 05214-methyl-4'-methoxybenzophenoneDTXSID50178586HMS1607H06

Database identifiers

CAS: 23886-71-7
PubChem CID: 32113
DTXSID: DTXSID50178586
EC Number: 839-795-1
Nikkaji: J39.689C

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 246

Physicochemical properties

Melting point: 92 °C · 92 °C
Boiling point: 374.9 · 374.9±25.0 °C(Predicted)
Density: 1.088 · 1.088±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2914500090 · 2914500090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P273, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2914500090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Preparation methods

PreparationAlso obtained by reaction of p-toluoyl chloride with anisole in the presence of MoO2 Cl2 (20 mol%)in refluxing bromobenzene for 20 h (82%)in refluxing acetonitrile for 20 h (59%)in refluxing methylene chloride for 20 h (49%).