CAS 4038-15-7 (2,4-Dimethoxyphenyl)(4-methoxyphenyl)methanone (HCID 254174)

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Basic information

CAS: 4038-15-7
Standard SMILES: COc1ccc(C(=O)c2ccc(OC)cc2OC)cc1
InChIKey: VFTDVICZBGDMMB-UHFFFAOYSA-N
Molecular formula: C16H16O4
Average molar mass: 272.29 g/mol
Monoisotopic mass: 272.10485899

Names & identifiers

Preferred name: (2,4-Dimethoxyphenyl)(4-methoxyphenyl)methanone
IUPAC: (2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone
English name: 2,4,4'-Trimethoxybenzophenone
Molecular formula: C16H16O4
Molecular weight: 272.3

Names & synonyms

4038-15-7(2,4-dimethoxyphenyl)(4-methoxyphenyl)methanone2,4,4'-TRIMETHOXYBENZOPHENONE(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanoneMFCD00100089NSC78015Maybridge1_005563Oprea1_837791MLS000861006DivK1c_001851(2,4-dimethoxy-phenyl)-(4-methoxy-phenyl)-methanoneSCHEMBL5902231

Show more names

2,4,4′-Trimethoxybenzophenone, CAS 4038-15-7Methanone, (2,4-dimethoxyphenyl)(4-methoxyphenyl)-

SCHEMBL9545150CHEMBL1608361SCHEMBL10584730SCHEMBL29414999HMS557E19DTXSID40291793VFTDVICZBGDMMB-UHFFFAOYSA-N2,4,4Prime-Trimethoxybenzophenone

Database identifiers

CAS: 4038-15-7
PubChem CID: 254174
DTXSID: DTXSID40291793
ChEMBL: CHEMBL1608361
EC Number: 670-307-8
Nikkaji: J2.806.602C

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 44.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 310

Physicochemical properties

Melting point: 71 · 71-73°C
Boiling point: 444 · 444.0±45.0 °C(Predicted)
Density: 1.136 · 1.136±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
BRN: 1991889 · 1991889
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.