2,2-ジクロロアセトフェノン

2,2-Dichloroacetophenone

HCID 72870CAS 2648-61-5

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C(c1ccccc1)C(Cl)Cl
InChIKey: CERJZAHSUZVMCH-UHFFFAOYSA-N
分子式: C8H6Cl2O
平均分子量: 189.04 g/mol
単同位体質量: 187.9795702

名称と識別子

優先名称: 2,2-Dichloroacetophenone
IUPAC: 2,2-dichloro-1-phenylethanone
現地名: 2,2-ジクロロアセトフェノン
英語名: 2,2-Dichloroacetophenone
分子式: C8H6Cl2O
分子量: 189.04

名称と別名

2,2-Dichloroacetophenone2648-61-52,2-Dichloro-1-phenylethanoneEthanone, 2,2-dichloro-1-phenyl-Acetophenone, 2,2-dichloro-alpha,alpha-DichloroacetophenoneDTXSID10519393VJ32JJ8LHNSC-53617DTXCID8030502RefChem:80986677-377-9

名称をさらに表示

2,2-ジクロロアセトフェノンジクロロアセチルベンゼン2,2-ジクロロ-1-フェニルエタノンα,α-ジクロロアセトフェノンジクロロメチルフェニルケトン(ジクロロアセチル)ベンゼンDichloroacetylbenzene(Dichloroacetyl)benzene2,2-dichloro-acetophenonA A-DICHLOROACETOPHENONEà,à-dichloroacetophenoneBETA-DICHLOROACETOPHENONE

Phenacylidene chloride1,1-Dichloroacetophenone2,2-dichloro-1-phenylethan-1-one.alpha.,.alpha.-DichloroacetophenoneMFCD000008442,2-dichloro-1-phenyl-ethanone.omega.,.omega.-DichloroacetophenoneCHEMBL3560171

データベース識別子

CAS: 2648-61-5
PubChem CID: 72870
DTXSID: DTXSID1051939
ChEMBL: CHEMBL3560171
UNII: 3VJ32JJ8LH
EC Number: 677-377-9
Nikkaji: J31.096D

物性

構造計算による物性

XLogP: 3
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: 11
形式電荷: 0
複雑度: 139

物理化学的性質

融点: 20 · 20-21 °C (lit.)
沸点: 132 · 132-134 °C/13 mmHg (lit.)
比重(密度): 1.34 g/mL · 1.34 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.5686(lit.)
闪点: 230 °F · >230 °F
溶解性: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
外見: clear liquid
色: Colorless to Red to Green
BRN: 1864186 · 1864186
InChI: 1S/C8H6Cl2O/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,8H
InChIKey: CERJZAHSUZVMCH-UHFFFAOYSA-N
SMILES: ClC(Cl)C(C1=CC=CC=C1)=O
CAS データベース: 2648 · 2648-61-5(CAS DataBase Reference)
EPAの化学物質情報: 2 · Ethanone, 2,2-dichloro-1-phenyl- (2648-61-5)

化学的性質

化学的特性CLEAR COLOURLESS TO SLIGHTLY PINK LIQUID

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (80%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: AM7175000
ridadr: UN 2810 6.1/PG 2
毒性: mouse,LCLo,inhalation,940mg/m3/10M (940mg/m3),National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. NDCrc-132, Pg. AUG1942,
hs_code: 29147000
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xn,Xi
safety_code: 26-27-28-36/37/39-7/9
packing_group: II
ストレージクラス: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

化学と産業

用途と製造

General Manufacturing InformationEthanone, 2,2-dichloro-1-phenyl-: INACTIVE

上流・下流製品情報

上流原料

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Syntechem Co.,Ltd[email protected]