CAS 328-93-8 2,5-Bis(trifluoromethyl)aniline (HCID 719818)

名称と識別子

優先名称: 2,5-Bis(trifluoromethyl)aniline
IUPAC: 2,5-bis(trifluoromethyl)aniline
現地名: 2,5-ビス(トリフルオロメチル)アニリン
英語名: 2,5-Bis(trifluoromethyl)aniline
分子式: C8H5F6N
分子量: 229.12

名称と別名

2,5-Bis(trifluoromethyl)aniline328-93-8DTXSID00352132RefChem:82719DTXCID90303198629-040-2UIWVOUBVGBJRNP-UHFFFAOYSA-N2,5-di(trifluoromethyl)aniline2,5-bis-(Trifluoromethyl)anilineMFCD000749402,5-bis-trifluoromethylaniline2,5-Bis(trifluoromethyl)-aniline

名称をさらに表示

2,5-ビス(トリフルオロメチル)アニリンα,α,α,α',α',α'-ヘキサフルオロ-2,5-キシリジン2,5‐ビス(トリフルオロメチル)アニリン2,5-DI2,5-Bis(trifLTIMTEC-BB SBB0006912,5-Bis(trifluorometDutasteride Impurity 34Duetasteride impurity 132,5-BIS(TRIFLUOROMETHYL)AMILINE2,5-DIS(TRIFLUOROMETHYL)ANILINE

2,5-BIS(TRIFLUOROMETHYL)BENZENAMINE2,5-bis-trifluoromethyl-anilinealpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-2,5-xylidine2,5-bis(trifluoromethyl)phenylamine2,5-Bis (trifluoro methyl) anilineEN300-02439Z56896763alpha,alpha,alpha,alphaatrade mark,alphaatrade mark,alphaatrade mark-hexafluoro-2,5-Xylidine; 2,5-Bis(trifluoromethyl)aniline; 2,5-Bis(trifluoromethyl)benzenamine; 2,5-Di(trifluoromethyl)aniline; alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-2,5-Xylidine

データベース識別子

CAS: 328-93-8
PubChem CID: 719818
DTXSID: DTXSID00352132
EC Number: 629-040-2
Nikkaji: J1.908.597J

物性

構造計算による物性

XLogP: 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: 7
回転可能結合数: 0
重原子数: 15
形式電荷: 0
複雑度: 220

物理化学的性質

沸点: 70 · 70-71 °C15 mm Hg(lit.)
比重(密度): 1.467 g/mL · 1.467 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.432(lit.)
闪点: 160 °F · 160 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: クロロホルム（微量）、酢酸エチル（微量）
外見: 油
酸解離定数(Pka): 0.24 · 0.24±0.10(Predicted)
比重: 1.467 · 1.467
色: 無色透明
BRN: 2653046 · 2653046
InChI: InChI=1S/C8H5F6N/c9-7(10,11)4-1-2-5(6(15)3-4)8(12,13)14/h1-3H,15H2
InChIKey: XWMVIJUAZAEWIE-UHFFFAOYSA-N
SMILES: C1(N)=CC(C(F)(F)F)=CC=C1C(F)(F)F
CAS データベース: 328 · 328-93-8(CAS DataBase Reference)

化学的性質

化学的特性Clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (91.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (89.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (91.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (91.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (89.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (78.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H373 (10.7%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, 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)

Aggregated GHS information provided per 56 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (91.1%)；Acute Tox. 4 (89.3%)；Skin Irrit. 2 (91.1%)；Eye Irrit. 2 (91.1%)；Acute Tox. 4 (89.3%)；STOT SE 3 (78.6%)；STOT RE 2 (10.7%)

安全データ

wgk: 3
ridadr: 2810
hs_code: 29214990
risk_code: 20/21/22-36/37/38
消防法: 危-4-3-III
hazard_code: Xn,T,Xi
hazard_note: Toxic/Irritant
safety_code: 26-36/37/39-45-36
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野

用途有機合成原料。

使用2,5-Bis(trifluoromethyl)aniline is a haloalkul substituted aniline used in the preparation of anti-benign prostatic hyperplasia drug, Dutasteride (D735000).