3-フルオロ-4-(トリフルオロメチル)ベンジルアミン

3-Fluoro-4-(trifluoromethyl)benzylamine

HCID 2737567

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 235106-09-9
標準SMILES: NCc1ccc(C(F)(F)F)c(F)c1
InChIKey: XYWYEOHNURYGGP-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: 3-Fluoro-4-(trifluoromethyl)benzylamine
IUPAC: [3-fluoro-4-(trifluoromethyl)phenyl]methanamine
現地名: 3-フルオロ-4-(トリフルオロメチル)ベンジルアミン
英語名: 3-Fluoro-4-(trifluoromethyl)benzylamine
分子式: C8H7F4N
分子量: 193.14

名称と別名

3-Fluoro-4-(trifluoromethyl)benzylamine235106-09-9DTXSID50372148RefChem:279410DTXCID60323181[3-fluoro-4-(trifluoromethyl)phenyl]methanamineMFCD00236287(3-fluoro-4-(trifluoromethyl)phenyl)methanamineBenzenemethanamine, 3-fluoro-4-(trifluoromethyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methylamine3-fluoro-4-trifluoromethylbenzylamineSCHEMBL297408

名称をさらに表示

3-フルオロ-4-(トリフルオロメチル)ベンジルアミンRARECHEM AL BW 08753-Fluoro-4-(trifluoromethyl)benzylamine 97%3-Fluoro-4-(trifluoromethyl)benzenemethanamine

SCHEMBL19356858SCHEMBL301396521-[3-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]METHANAMINESBB091540AKOS006228783PS-8323s10416AC-25952

データベース識別子

CAS: 235106-09-9
PubChem CID: 2737567
DTXSID: DTXSID50372148
EC Number: 679-159-9

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: 195.1 · 195.1±35.0 °C(Predicted)
比重(密度): 1.312 · 1.312±0.06 g/cm3(Predicted)
屈折率: 1.453 · 1.453
貯蔵温度: 2 · Keep in dark place,Sealed in dry,2-8°C
酸解離定数(Pka): 8.34 · 8.34±0.10(Predicted)
外見: liquid
色: Clear, yellow to light yellow
InChI: 1S/C8H7F4N/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3H,4,13H2
InChIKey: XYWYEOHNURYGGP-UHFFFAOYSA-N
SMILES: NCc1ccc(c(F)c1)C(F)(F)F
CAS データベース: 235106 · 235106-09-9(CAS DataBase Reference)

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]

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

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.