CAS 90-96-0 4,4'-Dimethoxybenzophenone (HCID 7032)

Overview

structure in first source

Names & identifiers

Preferred name: 4,4'-Dimethoxybenzophenone
IUPAC: bis(4-methoxyphenyl)methanone
English name: 4,4'-Dimethoxybenzophenone
Molecular formula: C15H14O3
Molecular weight: 242.27

Names & synonyms

4,4'-Dimethoxybenzophenone90-96-0XM6ZQ9ZM6ENSC-4191DTXSID50237985RefChem:96264DTXCID00160476202-028-0Bis(4-methoxyphenyl)methanoneMFCD00008404Methanone, bis(4-methoxyphenyl)-P,P'-DIMETHOXYBENZOPHENONE

Show more names

4,4-DimethoxybenzopLABOTEST-BB LT00160175Di(4-methoxyphenyl) ketone

4,4 inverted exclamation mark -DimethoxybenzophenoneDmbpDi-p-anisyl ketoneBenzophenone, 4,4'-dimethoxy-Bis(p-methoxy)benzophenonedi4-methoxyphenyl ketoneBis(p-anisyl) ketoneBis(4-anisyl) ketone

Database identifiers

CAS: 90-96-0
PubChem CID: 7032
DTXSID: DTXSID50237985
ChEMBL: CHEMBL2413410
UNII: XM6ZQ9ZM6E
EC Number: 202-028-0
Nikkaji: J42.325D

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 235

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: 141 · 141-143 °C (lit.)
Boiling point: 200 °C17 · 200 °C17 mm Hg(lit.)
Density: 1.1515 · 1.1515 (rough estimate)
refractive index: 1.557 · 1.5570 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
form: Powder
color: Slightly beige to yellow
Water Solubility: It is insoluble in water, soluble in ethanol.
BRN: 1878026 · 1878026
InChI: InChI=1S/C15H14O3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10H,1-2H3
InChIKey: RFVHVYKVRGKLNK-UHFFFAOYSA-N
SMILES: C(C1=CC=C(OC)C=C1)(C1=CC=C(OC)C=C1)=O
CAS DataBase Reference: 90 · 90-96-0(CAS DataBase Reference)
FDA UNII: 6 ZQ9ZM6E · XM6ZQ9ZM6E
NIST Chemistry Reference: P,p'-dimethoxybenzophenone(90-96-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
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-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29145000 · 29145000
Storage Class: 11 · 11 - Combustible Solids

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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Methanone, bis(4-methoxyphenyl)-

4,4'-Dimethoxybenzophenone: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29145000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications

Uses4,4'-Dimethoxybenzophenone is used in the organic synthesis. It also acts as a pharmaceutical intermediate. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.

General DescriptionPhotoreactivity of 4,4′-dimethoxybenzophenone with 2-aminobenzimidazole has been examined. It is an ultraviolet absorbing additive in plastic products.

Preparation methods

Preparationbtained by photocatalytic oxidation of 4,4–′-dimethoxybenzhydrol (m.p. 69–71°) catalyzed by H3PW12O40/SiO2 in acetonitrile under oxygen atmosphere at r.t. for 1 h (90%).