CAS 51330-06-4 Methanone, (2-chlorophenyl)phenyl- (HCID 78838)

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Basic information

CAS: 51330-06-4
Standard SMILES: O=C(c1ccccc1)c1ccccc1Cl
InChIKey: VMHYWKBKHMYRNF-UHFFFAOYSA-N
Molecular formula: C13H9ClO
Average molar mass: 216.66 g/mol
Monoisotopic mass: 216.03419259

Overview

2-Chlorobenzophenone is a member of benzophenones.

Names & identifiers

Preferred name: Methanone, (2-chlorophenyl)phenyl-
IUPAC: (2-chlorophenyl)-phenylmethanone
English name: (2-Chlorophenyl)phenyl-methanone
Molecular formula: C13H9ClO
Molecular weight: 216.66

Names & synonyms

2-Chlorobenzophenone5162-03-8o-ChlorobenzophenoneMethanone, (2-chlorophenyl)phenyl-Benzophenone, 2-chloro-(2-Chlorophenyl)phenylmethanone2-Chlorobenyl phenyl ketoneDU8B664MRJDTXSID6063721EINECS 225-936-9NSC 62529NSC-62529

Show more names

2-CBPorobenzophenoneRARECHEM AM UC 06022-chloro-benzophenon(2-Chlorophenyl)phen2-ChlorobenozophenoneLABOTEST-BB LT00159660

AI3-22112CLOTRIMAZOLE IMPURITY E [EP IMPURITY]51330-06-4CLOTRIMAZOLE IMPURITY E (EP IMPURITY)RefChem:811635DTXCID2041044Benzophenone, 2-chloro-(6CI,7CI,8CI)225-936-9

Database identifiers

CAS: 51330-06-4、5162-03-8
PubChem CID: 78838
DTXSID: DTXSID6063721
ChEBI: CHEBI:228404
UNII: DU8B664MRJ

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 221

Physicochemical properties

Melting point: 44 · 44-47 °C(lit.)
Boiling point: 330 °C · 330 °C(lit.)
Density: 1 · 1,18g/cm
refractive index: 1.526 · 1.5260 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
solubility: Chloroform (Sparingly), Methanol (Slightly)
form: Solid
color: White to Off-White
BRN: 1869594 · 1869594
InChI: InChI=1S/C13H9ClO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H
InChIKey: VMHYWKBKHMYRNF-UHFFFAOYSA-N
SMILES: C(C1=CC=CC=C1Cl)(C1=CC=CC=C1)=O
CAS DataBase Reference: 5162 · 5162-03-8(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 8 B664MRJ · DU8B664MRJ

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (27.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 11 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationMethanone, (2-chlorophenyl)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 CategoriesAcute Tox. 4 (27.3%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
tsca: TSCA listed
rtecs: PC4945633
hs_code: 29143990
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 37/39-26-24/25-36
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
REACH Registrations

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationMethanone, (2-chlorophenyl)phenyl-: ACTIVE

Applications · 3 items

Uses(2-Chlorophenyl)phenyl-methanone is a metabolite of Clofedanol (C586920). Chlorobenzophenone is also used as a catalyst in the photocrosslinking of polyethylenes.

Uses2-Chlorobenzophenone was used in the synthesis of 1-(2-chlorophenyl)isoquinolin-3-yl trifluoromethanesulfonate.

General DescriptionThermodynamics of formation of inclusion complex between 2-chlorobenzophenone and cyclomaltoheptaose (β-cyclodextrin) has been investigated by UV-vis spectroscopy and reversed-phase liquid chromatography. 2-Chlorobenzophenone undergoes reduction in the presence of LiAlH4 and (R)-(-)-2-(2-iso-indolinyl)butan-1-ol to afford the corresponding benzhydrols.