HCID2736489

2'-Chloro-4',5'-difluoroacetophenone

1-(2-chloro-4,5-difluorophenyl)ethanone

C8H5ClF2O190.57 g/molCAS 121872-94-4

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CC(=O)c1cc(F)c(F)cc1Cl
InChIKey: BNODNMUCMFITCS-UHFFFAOYSA-N
分子式: C8H5ClF2O
平均分子量: 190.57 g/mol
单同位素质量: 189.9996988

COMPUTED

结构计算性质

已同步

XLogP: 2.4
极性表面积: 17.1 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 186

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H314 (86.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (13.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (86.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (13.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 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.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Skin Corr. 1B (86.4%)；Skin Irrit. 2 (13.6%)；Eye Dam. 1 (86.4%)；Eye Irrit. 2 (13.6%)

ALIASES

名称与别名

共 28 条

121872-94-42'-Chloro-4',5'-difluoroacetophenoneDTXSID10371399RefChem:241126DTXCID20322433631-403-51-(2-chloro-4,5-difluorophenyl)ethanoneEthanone, 1-(2-chloro-4,5-difluorophenyl)-MFCD006717611-(2-chloro-4,5-difluorophenyl)ethan-1-one2/'-Chloro-4/',5/'-difluoroacetophenone2-chloro-4,5-difluoroacetophenone1-acetyl-2-chloro-4,5-difluorobenzene2 inverted exclamation mark -Chloro-4 inverted exclamation mark pound not5 inverted exclamation mark -difluoroacetophenone1-(2-chloro-4,5-difluoro-phenyl)ethanoneSCHEMBL3621616BNODNMUCMFITCS-UHFFFAOYSA-NSBB091189AKOS006230385FS-3966

REACTIONS