2,4'-ジクロロベンゾフェノン

2,4'-Dichlorobenzophenone

HCID 66558CAS 85-29-0

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C(c1ccc(Cl)cc1)c1ccccc1Cl
InChIKey: YXMYPHLWXBXNFF-UHFFFAOYSA-N
分子式: C13H8Cl2O
平均分子量: 251.1 g/mol
単同位体質量: 249.99522024

名称と識別子

優先名称: 2,4'-Dichlorobenzophenone
IUPAC: (2-chlorophenyl)-(4-chlorophenyl)methanone
現地名: 2,4'-ジクロロベンゾフェノン
英語名: 2,4'-Dichlorobenzophenone
分子式: C13H8Cl2O
分子量: 251.11

名称と別名

2,4'-Dichlorobenzophenone85-29-0(2-Chlorophenyl)(4-chlorophenyl)methanoneMethanone, (2-chlorophenyl)(4-chlorophenyl)-MFCD00038744(2-chlorophenyl)-(4-chlorophenyl)methanoneBenzophenone, 2,4'-dichloro-o,p-DichlorobenzophenoneNSC 3221o,p'-DichlorobenzophenoneEINECS 201-596-7SCHEMBL2991958

名称をさらに表示

2,4'-ジクロロベンゾフェノン2，4ジクロロベンゾフェノン2，4’-ジクロロベンゾフエノンdichlorobenzophenone2,4'-DCBPo,p’-DCBPC13H8Cl2O2,4'-DichlorobenzophLABOTEST-BB LT00455493Bifeprunox Impurity 612,4′-Dichlorbenzophenon2,4'-Dichlorobenzopheone

H3N0V78I65NSC-3221di2-chlorophenyl ketone(2-chlorophenyl)(4-chloro phenyl)methanoneD0230D705962,4 inverted exclamation mark -DichlorobenzophenoneQ27279599

データベース識別子

CAS: 85-29-0
PubChem CID: 66558
DTXSID: DTXSID6058920
ChEMBL: CHEMBL1862965
UNII: H3N0V78I65
EC Number: 201-596-7
Nikkaji: J37.614K

物性

構造計算による物性

XLogP: 4.4
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: 16
形式電荷: 0
複雑度: 246

実験および物理化学的性質

SpringerMaterials PropertiesFusion temperature

物理化学的性質

融点: 64 °C · 64°C
沸点: 214 °C · 214 °C / 22mmHg
比重(密度): 1.393 · 1.3930
屈折率: 1.5555 · 1.5555 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: クロロホルム（可溶）、メタノール（微量）
外見: 個体
色: ホワイトからオフホワイト
BRN: 1959090 · 1959090
Henry's Law Constant: 9.2 · 9.2×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: InChI=1S/C13H8Cl2O/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H
InChIKey: YXMYPHLWXBXNFF-UHFFFAOYSA-N
SMILES: C(C1=CC=CC=C1Cl)(C1=CC=C(Cl)C=C1)=O
CAS データベース: 85 · 85-29-0(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2,4'-Dichlorobenzophenone(85-29-0)
EPAの化学物質情報: Methanone, (2-chlorophenyl)(4-chlorophenyl)- (85-29-0)

化学的性質

化学的特性Whitecrystal powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 88.1% (37 of 42) of all reports.

Warning

H315 (11.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: Methanone, (2-chlorophenyl)(4-chlorophenyl)-

Methanone, (2-chlorophenyl)(4-chlorophenyl)-: 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 (11.9%)

安全データ

tsca: TSCA listed
hs_code: 29143990
risk_code: 36/37/38-38-37-36
化審法: (4)-1353
safety_code: 26-36/37/39-37

化学と産業

用途と製造

General Manufacturing InformationMethanone, (2-chlorophenyl)(4-chlorophenyl)-: ACTIVE

応用分野

用途有機合成原料。

使用2,4''-Dichlorobenzophenone is used in the synthesis of triarylcarbinol analogs of fenarimol as potent inhibitors of Trypanosoma cruzi. It can also be used to prepare fatty acid amide hydrolase inhibitors.