结构:NCc1ccc(F)c(C(F)(F)F)c1
HCID522270

[4-Fluoro-3-(trifluoromethyl)phenyl]methanamine

C8H7F4N193.14 g/molCAS 67515-74-6

IDENTITY

结构与身份

标准 SMILES
NCc1ccc(F)c(C(F)(F)F)c1
InChIKey
HZDVQEUISWBXPV-UHFFFAOYSA-N
分子式
C8H7F4N
平均分子量
193.14 g/mol
单同位素质量
193.05146188

COMPUTED

结构计算性质

已同步
XLogP
1.8
极性表面积
26 Ų
氢键供体
1
氢键受体
5
可旋转键
1
重原子
13
形式电荷
0
复杂度
168

GHS

GHS 分类

来源:PubChem
GHS Classification

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H335 (16.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 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 (100%);STOT SE 3 (16.7%)

ALIASES

名称与别名

30
(4-Fluoro-3-(trifluoromethyl)phenyl)methanamine[4-Fluoro-3-(trifluoromethyl)phenyl]methanamineRefChem:402828671-097-067515-74-64-Fluoro-3-(trifluoromethyl)benzylamine4-Fluoro-3-(trifluoromethyl)benzyl amineMFCD00070814[4-fluoro-3-(trifluoromethyl)phenyl]methylamine1-[4-fluoro-3-(trifluoromethyl)phenyl]methanamineBenzenemethanamine, 4-fluoro-3-(trifluoromethyl)-4-fluoro-3-trifluoromethyl-benzylamineSCHEMBL41768SCHEMBL41769DTXSID703349053-trifluoromethyl-4-fluorobenzylamineCK2417SBB091544AKOS0091591974-Fluoro3-(trifluoromethyl)benzylamine

REACTIONS

参与反应

8
HRID309710

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 309710 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID1221678

Training data from https://doi.org/10.1039/C8SC04228D (5/10)

作为反应物
HRID 1221678 方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

查看条件与参与物