CAS 611-94-9 4-Methoxybenzophenone (HCID 69146)

Overview

structure in first source

Names & identifiers

Preferred name: 4-Methoxybenzophenone
IUPAC: (4-methoxyphenyl)-phenylmethanone
English name: 4-Methoxybenzophenone
Molecular formula: C14H12O2
Molecular weight: 212.24

Names & synonyms

4-Methoxybenzophenone611-94-9p-MethoxybenzophenoneMethanone, (4-methoxyphenyl)phenyl-Phenyl p-anisyl ketoneDTXSID00209995I4XJ07373MNSC-2194RefChem:99628DTXCID50132486210-285-5(4-Methoxyphenyl)(phenyl)methanone

Show more names

NSC 2194p-Benzoylanisole4-Methoxydibenzoylphenylp-anisylketone4-methoxy-benzophenonp-methoxybenzylphenyl

Benzophenone, 4-methoxy-MFCD000084034-Benzoylanisole(4-Methoxyphenyl)phenylmethanone(4-methoxyphenyl)-phenylmethanonep-methoxy benzophenone4-Methoxybenzophenone, 97%CHEMBL198085

Database identifiers

CAS: 611-94-9
PubChem CID: 69146
DTXSID: DTXSID00209995
ChEMBL: CHEMBL198085
UNII: I4XJ07373M
EC Number: 210-285-5
Nikkaji: J96.106J

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 223

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: 60 · 60-63 °C (lit.)
Boiling point: 354 · 354-356 °C (lit.)
Density: 1.1035 · 1.1035 (rough estimate)
refractive index: 1.6 · 1.6000 (estimate)
Flash point: 354 · 354-356°C
storage temp.: Sealed in dry,Room Temperature
solubility: almost transparency in Methanol
form: Crystalline Solid
color: White to yellow-orange
Water Solubility: Insoluble in water.
BRN: 1104713 · 1104713
InChI: InChI=1S/C14H12O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey: SWFHGTMLYIBPPA-UHFFFAOYSA-N
SMILES: C(C1=CC=C(OC)C=C1)(C1=CC=CC=C1)=O
CAS DataBase Reference: 611 · 611-94-9(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 4 XJ07373M · I4XJ07373M
NIST Chemistry Reference: Methanone, (4-methoxyphenyl)phenyl-(611-94-9)
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
Safety Statements: 22 · 22-24/25
WGK Germany: 2 · 2
RTECS: 4962500 · PC4962500
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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory InformationMethanone, (4-methoxyphenyl)phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 2
rtecs: PC4962500
hs_code: 29145000
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 22-24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H319
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses4-Methoxybenzophenone and its analogues showed diverse plant growth-regulating actions such as inhibition of shoot and root growth, induction of chlorosis, and a disturbance in phototropism or geotropism. It is also used as a photo polymerization catalyst.