2-Fluoro-5-(trifluoromethyl)aniline (HCID 136349)

名称と識別子

優先名称: 2-Fluoro-5-(trifluoromethyl)aniline
IUPAC: 2-fluoro-5-(trifluoromethyl)aniline
現地名: 3-アミノ-4-フルオロベンゾトリフルオリド
英語名: 2-Fluoro-5-(trifluoromethyl)aniline
分子式: C7H5F4N
分子量: 179.11

名称と別名

2-Fluoro-5-(trifluoromethyl)anilineRefChem:472461626-503-0535-52-43-Amino-4-fluorobenzotrifluoridealpha,alpha,alpha,6-Tetrafluoro-m-toluidineMFCD000076532-Fluoro-5-trifluoromethylaniline2-fluoro-5-(trifluoromethyl)phenylamine.alpha.,.alpha.,.alpha.,6-Tetrafluoro-m-toluidineBenzenamine, 2-fluoro-5-(trifluoromethyl)-3-Amino-4-fluorobenzotrifluoride; NSC 10327; alpha,alpha,alpha,6-Tetrafluoro-m-toluidine

名称をさらに表示

3-アミノ-4-フルオロベンゾトリフルオリド2-フルオロ-5-(トリフルオロメチル)アニリン2-フルオロ-5-トリフルオロメチルアニリンuoro-5-(trifLα,α,α,6-Tetrafluoro-m-toluidine4-FLUORO-3-AMINOBENZOTRIFLUORIDE3－amino－4－fluorobentozrifluoride3-amino-4-fluoro bensotrifluoride3-Amino-4-fluorobenzotrifluoride97%3-Amino-4-fluorobenzotrifluoride 97%4-FLUORO-3-AMINOBENZOTRIFLUORIDE 97%

NSC103272-fluoro-5-(trifluoromethyl)benzenamineSCHEMBL3094792-fluoro-5-trifluoromethylanilina,a,a,6-Tetrafluoro-m-toluidineDTXSID802017102-fluoro-5-trifloromethyl aniline2-fluoro-5-trifluoromethyl aniline

データベース識別子

CAS: 535-52-4
PubChem CID: 136349
DTXSID: DTXSID80201710
EC Number: 626-503-0
Nikkaji: J149.710C

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: 5
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 156

物理化学的性質

沸点: 155 °C · 155 °C (lit.)
比重(密度): 1.378 g/mL · 1.378 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.461(lit.)
闪点: 158 °F · 158 °F
貯蔵温度: 2 · Keep in dark place,Inert atmosphere,2-8°C
溶解性: クロロホルム、メタノール
酸解離定数(Pka): 1.98 · 1.98±0.10(Predicted)
外見: 油
色: 無色透明
比重: 1.378 · 1.378
BRN: 1950800 · 1950800
InChI: InChI=1S/C7H5F4N/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H,12H2
InChIKey: DRKWGMXFFCPZLW-UHFFFAOYSA-N
SMILES: C1(N)=CC(C(F)(F)F)=CC=C1F
CAS データベース: 535 · 535-52-4(CAS DataBase Reference)
NISTの化学物質情報: 6 · Alpha,alpha,alpha,6-tetrafluoro-m-toluidine(535-52-4)

化学的性質

化学的特性clear yellow to orange liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (91.3%): 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 (87%): 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)

Aggregated GHS information provided per 46 reports by companies from 5 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 (100%)；Acute Tox. 4 (91.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (87%)

安全データ

wgk: 3
ridadr: UN2810/6.1/II
hs_code: 29214200
risk_code: 20/21/22-36/37/38-23-21/22
消防法: 危-4-3-III
hazard_code: Xn,Xi,T
hazard_note: Irritant
safety_code: 26-36/37-45-36/37/39
hazard_class: 6.1
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