1-(4-Fluorophenyl)ethylamine (HCID 123063)

名称と識別子

優先名称: 1-(4-Fluorophenyl)ethylamine
IUPAC: 1-(4-fluorophenyl)ethanamine
現地名: 4-フルオロ-α-メチルベンゼンメタンアミン
英語名: 1-(4-Fluorophenyl)ethylamine
分子式: C8H10FN
分子量: 139.17

名称と別名

1-(4-Fluorophenyl)ethylamineRefChem:4256251-(4-fluorophenyl)ethanamine403-40-74-Fluoro-alpha-methylbenzylamine1-(4-fluorophenyl)ethan-1-aminedl-4-fluoro-alpha-methylbenzylamineMFCD000413231-(4'-fluorophenyl)ethanamine4-Fluoro-a-methylbenzylamine4-Fluoro-|A-methylbenzylamine1-(p-fluorophenyl)-ethylamine

名称をさらに表示

4-フルオロ-α-メチルベンジルアミン1-(4-フルオロフェニル)エチルアミン4-フルオロ-α-メチルベンゼンメタンアミンα-メチル-4-フルオロベンジルアミン1-(4-フルオロフェニル)エタンアミン1‐（4‐フルオロフェニル）エタンアミンDL-4-フルオロ-Α-メチルベンジルアミンDL‐4‐フルオロ‐Α‐メチルベンジルアミンα-メチル-4-フルオロベンゼンメタンアミン1-(1-アミノエチル)-4-フルオロベンゼン1-(4-フルオロフェニル)エタン-1-アミンAKOS BC-26171-(4-FLUOROPHENYL)E1-(4-Fluorophenyl)ethamine-methyl-4-fluoro-benzylamine4-fluoro-α-methylbenzylaminep-Fluro-α--MethylbenzylaMine

(+/-)-1-(4-fluorophenyl)ethylamineP-FLUORO-ALPHA-METHYLBENZYLAMINEp-fluoro-a-methylbenzylamine4-Fluoro-alpha-methylbenzyl amine(rs)-1-(4-fluorophenyl)ethylamineEINECS 206-958-8(S)-4-Fluoro-alpha-methylbenzylaminealpha-methyl-4-fluorobenzylamine

データベース識別子

CAS: 403-40-7
PubChem CID: 123063
DTXSID: DTXSID80960739
UNII: P5LVU25R8A
EC Number: 206-958-8
Nikkaji: J213.660K

物性

構造計算による物性

XLogP: 1.3
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 97.4

物理化学的性質

融点: -30 °C · -30°C
沸点: 145 °C · 145 °C(lit.)
比重(密度): 1.059 g/mL · 1.059 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.502(lit.)
闪点: 155 °F · 155 °F
貯蔵温度: 2 · Storage temp. 2-8°C
外見: 液体
酸解離定数(Pka): 8.98 · 8.98±0.10(Predicted)
色: 無色透明～黄色または薄橙色
BRN: 2802417 · 2802417
InChI: 1S/C8H10FN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3
InChIKey: QGCLEUGNYRXBMZ-UHFFFAOYSA-N
SMILES: CC(N)c1ccc(F)cc1
CAS データベース: 403 · 403-40-7(CAS DataBase Reference)
NISTの化学物質情報: p-Fluoro-«alpha»-methylbenzylamine(403-40-7)

化学的性質

化学的特性Clear colorless to yellow or light orange liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (97.8%): 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 46 reports by companies from 4 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Corr. 1B (97.8%)

安全データ

wgk: 3
ridadr: UN 2735 8/PG 3
hs_code: 29214990
risk_code: 34
消防法: 危-4-2-III
hazard_code: C,Xi
hazard_note: Corrosive
safety_code: 26-27-36/37/39-45
hazard_class: 8
packing_group: III
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野

使用4-Fluoro-α-methylbenzylamine was used in the synthesis of novel thioureas with diuretic and saluretic activity. It has also been used for nucleophilic substitution reactions.