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

概要

2-Chlorobenzophenone is a member of benzophenones.

名称と識別子

優先名称: Methanone, (2-chlorophenyl)phenyl-
IUPAC: (2-chlorophenyl)-phenylmethanone
現地名: 2-クロロベンゾフェノン
英語名: (2-Chlorophenyl)phenyl-methanone
分子式: C13H9ClO
分子量: 216.66

名称と別名

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

名称をさらに表示

2-クロロベンゾフェノンフェニル(o-クロロフェニル)ケトン2-クロロ[1,1'-カルボニルビスベンゼン]o-クロロベンゾフェノン2-クロロベンゾイルベンゼン(2-クロロフェニル)(フェニル)メタノン2-クロロ[1,1′-カルボニルビスベンゼン]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

データベース識別子

CAS: 51330-06-4、5162-03-8
PubChem CID: 78838
DTXSID: DTXSID6063721
ChEBI: CHEBI:228404
UNII: DU8B664MRJ
EC Number: 225-936-9
Nikkaji: J5.201I

物性

構造計算による物性

XLogP: 4
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 221

物理化学的性質

融点: 44 · 44-47 °C(lit.)
沸点: 330 °C · 330 °C(lit.)
比重(密度): 1 · 1,18g/cm
屈折率: 1.526 · 1.5260 (estimate)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · 2-8°C
溶解性: クロロホルム（少量）、メタノール（少量）
外見: Solid
色: ホワイトからオフホワイト
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 データベース: 5162 · 5162-03-8(CAS DataBase Reference)
NISTの化学物質情報: Methanone, (2-chlorophenyl)phenyl-(5162-03-8)
EPAの化学物質情報: Methanone, (2-chlorophenyl)phenyl- (5162-03-8)

化学的性質

化学的特性(2-Chlorophenyl)phenyl-methanone is white to yellow crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

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%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: PC4945633
hs_code: 29143990
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 37/39-26-24/25-36
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

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

応用分野 · 3 件

用途有機合成原料。

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

一般的な説明Thermodynamics 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.