4-(2,2,2-トリフルオロエチル)アニリン

4-(2,2,2-Trifluoroethyl)aniline

HCID 14836858

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 131395-17-0
標準SMILES: Nc1ccc(CC(F)(F)F)cc1
InChIKey: DALKOEVEKVKJQX-UHFFFAOYSA-N
分子式: C8H8F3N
平均分子量: 175.15 g/mol
単同位体質量: 175.06088375

名称と識別子

優先名称: 4-(2,2,2-Trifluoroethyl)aniline
IUPAC: 4-(2,2,2-trifluoroethyl)aniline
現地名: 4-(2,2,2-トリフルオロエチル)アニリン
英語名: 4-(2,2,2-Trifluoroethyl)aniline
分子式: C8H8F3N
分子量: 175.15

名称と別名

4-(2,2,2-Trifluoroethyl)aniline131395-17-0DTXSID30564544RefChem:286827DTXCID40515320834-344-5Benzenamine, 4-(2,2,2-trifluoroethyl)-MFCD049729854-(222-Trifluoroethyl)anilineSCHEMBL10570HUTUOLVNEWOEJC-UHFFFAOYSA-N4-(2,2,2-trifluorethyl)aniline

名称をさらに表示

4-(2,2,2-トリフルオロエチル)アニリン4-(2,2,2-Trifluoroethyl)

4-(2,2,2-trifluoroethyl)-aniline4-(2,2,2-trifluoro-ethyl)-anilineAKOS006295181AB21252DS-29224-(2,2,2-trifluoro-ethyl)-phenylamineSY192559TS-02415

データベース識別子

CAS: 131395-17-0
PubChem CID: 14836858
DTXSID: DTXSID30564544
EC Number: 834-344-5
Nikkaji: J3.093.985I

物性

構造計算による物性

XLogP: 2.5
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: 12
形式電荷: 0
複雑度: 136

物理化学的性質

沸点: 195.3 · 195.3±40.0 °C(Predicted)
比重(密度): 1.242 · 1.242±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): 4.18 · 4.18±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.