(S)-1-(4-フルオロフェニル)エチルアミン

(S)-1-(4-Fluorophenyl)-ethylamine

HCID 2779063

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基本情報

CAS: 66399-30-2
標準SMILES: C[C@H](N)c1ccc(F)cc1
InChIKey: QGCLEUGNYRXBMZ-LURJTMIESA-N
分子式: C8H10FN
平均分子量: 139.17 g/mol

名称と識別子

優先名称: (S)-1-(4-Fluorophenyl)-ethylamine
IUPAC: (1S)-1-(4-fluorophenyl)ethanamine
現地名: (S)-1-(4-フルオロフェニル)エチルアミン
英語名: (S)-1-(4-Fluorophenyl)ethylamine
分子式: C8H10FN
分子量: 139.17

名称と別名

66399-30-2(S)-1-(4-fluorophenyl)-ethylamineRefChem:407778679-261-3(S)-1-(4-fluorophenyl)ethanamine(S)-1-(4-Fluorophenyl)ethylamine(1S)-1-(4-fluorophenyl)ethanamine(S)-1-(4-FLUORO-PHENYL)-ETHYLAMINE(S)-(-)-1-(4-Fluorophenyl)EthylamineMFCD03092999(1S)-1-(4-fluorophenyl)ethan-1-amine(S)-4-Fluoro-alpha-methylbenzylamine

名称をさらに表示

(S)-1-(4-フルオロフェニル)エチルアミン(S)-1-(4-フルオロフェニル)エタンアミン(S)-1-(4-fluorophenyl)ethan-1-amineS-PF-PEM(S)-(-)-4-F-phenylethylamine1(S)-(4-Fluorophenyl)ethylamine(S)-α-Methyl-4-fluorobenzylaMine(s)-4-fluoro-à-methylbenzylamine(S)-4-Fluoro-α-methylbenzylamine

(1S)-1-(4-Fluorophenyl)ethylamineSCHEMBL56723SCHEMBL3877911QGCLEUGNYRXBMZ-LURJTMIESA-N(5)-1-(4-fluorophenyl)ethanamineCS-D0021(S)-1-(4-fluoro-phenyl)ethylamine(s)-p-fluoro-alpha-methylbenzylamine

データベース識別子

CAS: 66399-30-2
PubChem CID: 2779063
EC Number: 679-261-3
Nikkaji: J1.372.615I

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: 76 °C · 76°C 22mm
比重(密度): 1 · 1,03 g/cm3
屈折率: 1.501 · 1.501
闪点: 76 °C/22mm · 76°C/22mm
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
溶解性: ジメチルスルホキシドと混和します。
酸解離定数(Pka): 8.98 · 8.98±0.10(Predicted)
外見: liquid
色: Clear
BRN: 6791614 · 6791614
CAS データベース: 66399 · 66399-30-2(CAS DataBase Reference)

化学的性質

化学的特性Colorless transparent liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (88.6%)

安全データ

ridadr: 2735
hs_code: 2921490090
risk_code: 34-51/53-22
hazard_code: Xi,N,C
hazard_note: Irritant
safety_code: 26-36/37/39-61-45
hazard_class: 8
packing_group: III

化学と産業

応用分野

使用(S)-(-)-1-(4-Fluorophenyl)ethylamine is used in organic synthesis. It acts as a ligand and form a coordination complex, diacetato-2-O-bis[(S)-1-(4-fluorophenyl)ethylamine-N]palladium(II) by reacting with palladium(II) acetate.