4-フルオロ-2-(トリフルオロメチル)ベンジルアミン

(4-Fluoro-2-(trifluoromethyl)phenyl)methanamine

HCID 2734878

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基本情報

CAS: 202522-22-3
標準SMILES: NCc1ccc(F)cc1C(F)(F)F
InChIKey: BLQGRYYLPWCHMA-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: (4-Fluoro-2-(trifluoromethyl)phenyl)methanamine
IUPAC: [4-fluoro-2-(trifluoromethyl)phenyl]methanamine
現地名: 4-フルオロ-2-(トリフルオロメチル)ベンジルアミン
英語名: 4-FLUORO-2-(TRIFLUOROMETHYL)BENZYLAMINE
分子式: C8H7F4N
分子量: 193.14

名称と別名

(4-Fluoro-2-(trifluoromethyl)phenyl)methanamine[4-fluoro-2-(trifluoromethyl)phenyl]methanamineRefChem:402811671-100-5202522-22-34-Fluoro-2-(trifluoromethyl)benzylamine4-Fluoro-2-(trifluoromethyl)benzyl amine4-Fluoro-2-(trifluoromethyl)benzenemethanamineBenzenemethanamine, 4-fluoro-2-(trifluoromethyl)-MFCD000611641-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine[4-fluoro-2-(trifluoromethyl)phenyl]methylamine

名称をさらに表示

4-フルオロ-2-(トリフルオロメチル)ベンジルアミン4-フルオロ-2-(トリフルオロメチル)ベンゼンメタンアミンRARECHEM AL BW 06694-Fluoro-2-(trifluoromethyl)benzylamine97%4-Fluoro-2-(trifluoromethyl)benzylamine 97%4-Fluoro-2-(trifluoromethyl)benzylamine ,99%4-Fluoro-2-(trifluoromethyl)benzylamine, 98.5%[[4-Fluoro-2-(trifluoromethyl)phenyl]methyl]amine

Benzenemethanamine,4-Fluoro-2-trifluoromethylbenzylamineSCHEMBL109671DTXSID103705492-trifluoromethyl-4-fluorobenzylamineCK2393SBB0915474-fluoro-2-trifluoromethyl benzylamine

データベース識別子

CAS: 202522-22-3
PubChem CID: 2734878
DTXSID: DTXSID10370549
EC Number: 671-100-5

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: 177 ℃ · 177℃
比重(密度): 1.312 · 1.312
屈折率: 1.453 · 1.453
闪点: 73 ℃ · 73℃
貯蔵温度: 2 · Keep in dark place,Inert atmosphere,2-8°C
酸解離定数(Pka): 8.21 · 8.21±0.10(Predicted)
外見: liquid
色: Clear, almost colourless
CAS データベース: 202522 · 202522-22-3(CAS DataBase Reference)

化学的性質

化学的特性Colorless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H227 (16.7%): Combustible liquid [Warning Flammable liquids]

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

Aggregated GHS information provided per 6 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 CategoriesFlam. Liq. 4 (16.7%)

安全データ

ridadr: 2735
hs_code: 29214200
risk_code: 34
hazard_code: C,Xi
hazard_note: Corrosive/Store under nitrogen
safety_code: 45-36/37/39-26-23-20
hazard_class: 8
packing_group: III

化学と産業

応用分野

使用4-Fluoro-2-(trifluoromethyl)benzylamine is used for preparation of heterocycle-substituted amide derivatives as ACAT inhibitors for pharmaceuticals compositions.