CAS 175711-83-8 1-(4-Chloro-2-fluorophenyl)ethan-1-one (HCID 15030552)

基本情報

CAS: 175711-83-8
標準SMILES: CC(=O)c1ccc(Cl)cc1F
InChIKey: OIGMDNONQJGUCF-UHFFFAOYSA-N
分子式: C8H6ClFO
平均分子量: 172.58 g/mol
単同位体質量: 172.0091207

名称と識別子

優先名称: 1-(4-Chloro-2-fluorophenyl)ethan-1-one
IUPAC: 1-(4-chloro-2-fluorophenyl)ethanone
現地名: 4'-クロロ-2'-フルオロアセトフェノン
英語名: 4''-Chloro-2''-fluoroacetophenone
分子式: C8H6ClFO
分子量: 172.58

名称と別名

175711-83-81-(4-Chloro-2-fluorophenyl)ethanone1-(4-Chloro-2-fluorophenyl)ethan-1-oneDTXSID90567213RefChem:425126DTXCID60517987605-759-74'-Chloro-2'-fluoroacetophenone4-chloro-2-fluoroacetophenoneMFCD04116328Ethanone, 1-(4-chloro-2-fluorophenyl)-SCHEMBL325429

名称をさらに表示

4'-クロロ-2'-フルオロアセトフェノン-fluoroacetophenone4''-Chloro-2''-fluoroacetophenone4'-Chloro-2'-fluoroacetophenone, 98%4′-Chloro-2′-fluoroacetophenone, CAS 175711-83-84-Chloro-2-fluoroacetophenone 1-(4-Chloro-2-fluorophenyl)ethanone

CL86664 inverted exclamation mark -Chloro-2 inverted exclamation mark -fluoroacetophenonePS-86591-(4-chloro-2-fluoro-phenyl)-ethanoneSY011386EN300-1236414/'/'-CHLORO-2/'/'-FLUOROACETOPHENONE1-(4-chloro-2-fluoro-phenyl)ethanone

データベース識別子

CAS: 175711-83-8
PubChem CID: 15030552
DTXSID: DTXSID90567213
EC Number: 605-759-7

物性

構造計算による物性

XLogP: 2.3
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: 2
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 160

物理化学的性質

沸点: 233 · 233 ºC
比重(密度): 1.258 · 1.258
闪点: 95 · 95 ºC
貯蔵温度: Sealed in dry,Room Temperature
外見: liquid
色: Clear
InChI: InChI=1S/C8H6ClFO/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3
InChIKey: OIGMDNONQJGUCF-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(Cl)C=C1F)C

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.；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 CategoriesAcute Tox. 4 (97.5%)

安全データ

hs_code: 2914790090

化学と産業

応用分野 · 1 件

使用4''-Chloro-2''-fluoroacetophenone is used as a reagent in the synthesis of aminoazabenzimidazoles as a novel class of orally active antimalarial agents. 4''-Chloro-2''-fluoroacetophenone is also used in the preparation of the JAK2 Inhibitor, LY2784544 (L486570).