4-フルオロ-3-(トリフルオロメチル)ベンジルアミン

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

HCID 522270

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 67515-74-6
標準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
単同位体質量: 193.05146188

名称と識別子

優先名称: [4-Fluoro-3-(trifluoromethyl)phenyl]methanamine
IUPAC: [4-fluoro-3-(trifluoromethyl)phenyl]methanamine
現地名: 4-フルオロ-3-(トリフルオロメチル)ベンジルアミン
英語名: 4-Fluoro-3-(trifluoromethyl)benzylamine
分子式: C8H7F4N
分子量: 193.14

名称と別名

(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-benzylamine

名称をさらに表示

4-フルオロ-3-(トリフルオロメチル)ベンジルアミンRARECHEM AL BW 06705-(Aminomethyl)-2-fluorobenzotrifluoride4-Fluoro-3-(trifluoromethyl)benzylamine97%4-Fluoro-3-(trifluoromethyl)benzylamine 97%((4-Fluoro-3-(trifluoromethyl)phenyl)methyl)amine

SCHEMBL41768SCHEMBL41769DTXSID703349053-trifluoromethyl-4-fluorobenzylamineCK2417SBB091544AKOS0091591974-Fluoro3-(trifluoromethyl)benzylamine

データベース識別子

CAS: 67515-74-6
PubChem CID: 522270
DTXSID: DTXSID70334905
EC Number: 671-097-0

物性

構造計算による物性

XLogP: 1.8
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 168

物理化学的性質

沸点: 101 °C · 101°C 3mm
比重(密度): 1.312 · 1.312
屈折率: 1.456 · 1.456
闪点: 101 °C/3mm · 101°C/3mm
貯蔵温度: 2 · Keep in dark place,Inert atmosphere,2-8°C
酸解離定数(Pka): 8 · 8+-.0.10(Predicted)
外見: solid
BRN: 3083164 · 3083164
InChI: 1S/C8H7F4N/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H,4,13H2
InChIKey: HZDVQEUISWBXPV-UHFFFAOYSA-N
SMILES: NCc1ccc(F)c(c1)C(F)(F)F
CAS データベース: 67515 · 67515-74-6(CAS DataBase Reference)

化学的性質

化学的特性clear slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

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.