3-氯-4-氟苯乙酮

3'-Chloro-4'-fluoroacetophenone

HCID 520422CAS 2923-66-2

子结构检索查找相似结构

基本信息

标准SMILES: CC(=O)c1ccc(F)c(Cl)c1
InChIKey: PCJPESKRPOTNGU-UHFFFAOYSA-N
分子式: C8H6ClFO
平均分子量: 172.58 g/mol
单同位素质量: 172.0091207

名称与标识

首选名称: 3'-Chloro-4'-fluoroacetophenone
IUPAC: 1-(3-chloro-4-fluorophenyl)ethanone
中文名: 3-氯-4-氟苯乙酮
英文名: 3-Chloro-4-fluoroacetophenone
分子式: C8H6ClFO
分子量: 172.58

名称与别名

3'-Chloro-4'-fluoroacetophenone2923-66-21-(3-Chloro-4-fluorophenyl)ethanoneDTXSID70334344RefChem:484649DTXCID80285434608-330-23-Chloro-4-fluoroacetophenone1-(3-Chloro-4-fluorophenyl)ethan-1-oneEthanone, 1-(3-chloro-4-fluorophenyl)-MFCD000422031-acetyl-3-chloro-4-fluorobenzene

展开更多名称

3-氯-4-氟苯乙酮3'-氯-4'-氟苯乙酮1-(3-氯-4-氟苯基)乙酮3'-氯-4'-氟苯乙酮,97%3'-氯-4'-氟苯乙酮(3-氯-4-氟苯乙酮)2''-氯-5''-(三氟甲基)苯乙酮/2'-Chloro-5'-(trifluoromethyl)acetophenone2''-氯-5''-(三氟甲基)苯乙酮/2'-Chloro-5'-(trifluoromethyl)acetophenone3'-Chloro-4'-fluoroacetophenone97%3'-Chloro-4'-fluoroacetophenone 97%3'-Chloro-4'-fluoroacetophenone ,98%1-(3-chloro-4-fluorophenyl)acetic acid3′-Chloro-4′-fluoroacetophenone, CAS 2923-66-2

1-(3-chloro-4-fluoro-phenyl)ethanone1-(3-Chloro-4-fluoro-phenyl)-ethanoneSCHEMBL75563orb30315934'-fluoro-3'-chloroacetophenoneFr12177CL8654SBB063231

数据库标识

CAS: 2923-66-2
PubChem CID: 520422
DTXSID: DTXSID70334344
EC Number: 608-330-2

性质

结构计算性质

XLogP: 2.4
极性表面积: 17.1 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 1
重原子: 11
形式电荷: 0
复杂度: 160

物理化学性质

熔点: 42 °C · 42 °C
沸点: 126 °C · 126 °C
密度: 1.258 · 1.258±0.06 g/cm3(Predicted)
闪点: 126 · 126-127°C/15mm
储存条件: Sealed in dry,Room Temperature
溶解度: soluble in Methanol
形态: powder to crystal
颜色: White to Light yellow to Dark green
BRN: 3117772 · 3117772
CAS 数据库: 2923 · 2923-66-2(CAS DataBase Reference)
NIST化学物质信息: 3 · 3-Chloro-4-fluoroacetophenone(2923-66-2)

安全与法规

GHS分类

GHS Classification · 5 条

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (88.9%): 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, 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 9 reports by companies from 5 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.