2-フルオロ-5-(トリフルオロメチル)ベンジルアミン

2-Fluoro-5-(trifluoromethyl)benzylamine

HCID 533839

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 199296-61-2
標準SMILES: NCc1cc(C(F)(F)F)ccc1F
InChIKey: WIQWADYBGSRGCF-UHFFFAOYSA-N
分子式: C8H7F4N
平均分子量: 193.14 g/mol
単同位体質量: 193.0514621

名称と識別子

優先名称: 2-Fluoro-5-(trifluoromethyl)benzylamine
IUPAC: [2-fluoro-5-(trifluoromethyl)phenyl]methanamine
現地名: 2-フルオロ-5-(トリフルオロメチル)ベンジルアミン
英語名: 2-Fluoro-5-(trifluoromethyl)benzylamine
分子式: C8H7F4N
分子量: 193.14

名称と別名

2-Fluoro-5-(trifluoromethyl)benzylamine199296-61-2DTXSID20336439RefChem:87094DTXCID70287528671-099-1WIQWADYBGSRGCF-UHFFFAOYSA-N[2-Fluoro-5-(trifluoromethyl)phenyl]methanamine2-fluoro-5-(trifluoromethyl)benzyl amineMFCD00061162Benzenemethanamine, 2-fluoro-5-(trifluoromethyl)-(2-fluoro-5-(trifluoromethyl)phenyl)methanamine

名称をさらに表示

2-フルオロ-5-(トリフルオロメチル)ベンジルアミンRARECHEM AL BW 06672-fluoro-5-(trifluoromethyl)benzyla2-Fluoro-5-(trifluoromethyl)benzylamine97%2-Fluoro-5-(trifluoromethyl)benzylamine 97%

[2-fluoro-5-(trifluoromethyl)phenyl]methylamine2-fluoro-5-trifluoromethylbenzylamine2-floro-5-(trifluoromethyl)benzylamine1-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]METHANAMINESCHEMBL6566SCHEMBL42905CK1111SBB091543

データベース識別子

CAS: 199296-61-2
PubChem CID: 533839
DTXSID: DTXSID20336439
EC Number: 671-099-1

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: 175.9 · 175.9±35.0 °C(Predicted)
比重(密度): 1.312 · 1.312±0.06 g/cm3(Predicted)
屈折率: 1.451 · 1.451
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 8.27 · 8.27±0.10(Predicted)
外見: clear liquid
色: Colorless to Light yellow to Light orange
InChI: InChI=1S/C8H7F4N/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H,4,13H2
InChIKey: WIQWADYBGSRGCF-UHFFFAOYSA-N
SMILES: C1(CN)=CC(C(F)(F)F)=CC=C1F
CAS データベース: 199296 · 199296-61-2(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Fluoro-5-(trifluoromethyl)benzylamine(199296-61-2)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.