CAS 15996-84-6 1-(4-Trifluoromethylphenyl)Ethylamine (HCID 2782449)

基本情報

CAS: 15996-84-6
標準SMILES: CC(N)c1ccc(C(F)(F)F)cc1
InChIKey: GUMZDWPMXGQNBG-UHFFFAOYSA-N
分子式: C9H10F3N
平均分子量: 189.18 g/mol
単同位体質量: 189.07653398

名称と識別子

優先名称: 1-(4-Trifluoromethylphenyl)Ethylamine
IUPAC: 1-[4-(trifluoromethyl)phenyl]ethanamine
現地名: 1-(4-トリフルオロメチルフェニル)エチルアミン
英語名: (RS)-1-[4-(Trifluoromethyl)phenyl]ethylamine
分子式: C9H10F3N
分子量: 189.18

名称と別名

1-(4-Trifluoromethylphenyl)ethylamine1-(4-(Trifluoromethyl)phenyl)ethylamine1-[4-(trifluoromethyl)phenyl]ethylamineDTXSID60382091RefChem:426057DTXCID30333116108-701-4695-888-515996-84-61-(4-(Trifluoromethyl)phenyl)ethanamine1-[4-(trifluoromethyl)phenyl]ethanamine(RS)-1-[4-(Trifluoromethyl)phenyl]ethylamine

名称をさらに表示

1-(4-トリフルオロメチルフェニル)エチルアミン1-[4-(トリフルオロメチル)フェニル]エチルアミン1-(4-Trifluoromethylphenyyl)ethylamineRS-1-[4-9Trifluoromethyl)phenyl]ethylamineα-Methyl-4-(trifluoromethyl)benzenemethanaminealpha-Methyl-4-(trifluoromethyl)benzylamine98%alpha-Methyl-4-(trifluoromethyl)benzylamine 98%(RS)-1-[4-(Trifluoromethyl)phenyl]ethylamine 98%BenzeneMethanaMine, a-Methyl-4-(trifluoroMethyl)-

MFCD040388781-[4-(trifluoromethyl)phenyl]ethan-1-aminealpha-Methyl-4-(trifluoromethyl)benzylamine1-(4-(trifluoromethyl)phenyl)ethan-1-amineBenzenemethanamine, alpha-methyl-4-(trifluoromethyl)-(r)-1-(4-trifluoromethyl-phenyl)-ethylamineBenzenemethanamine, |A-methyl-4-(trifluoromethyl)-1-[4-(Trifluoromethyl)phenyl]ethylamine, 4-(1-Aminoethyl)benzotrifluoride

データベース識別子

CAS: 15996-84-6
PubChem CID: 2782449
DTXSID: DTXSID60382091
EC Number: 108-701-4、695-888-5
Nikkaji: J1.492.448E

物性

構造計算による物性

XLogP: 2.1
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 159

物理化学的性質

沸点: 76.5 · 76.5-77.5
比重(密度): 1.18 · 1.180±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 8.56 · 8.56±0.10(Predicted)
外見: liquid
色: clear

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H227 (33.3%): Combustible liquid [Warning Flammable liquids]

P210, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

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

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]