CAS 141483-15-0 2-Fluoro-5-(trifluoromethyl)phenol (HCID 518888)

基本情報

CAS: 141483-15-0
標準SMILES: Oc1cc(C(F)(F)F)ccc1F
InChIKey: MCOSBFKOUQAIJS-UHFFFAOYSA-N
分子式: C7H4F4O
平均分子量: 180.1 g/mol
単同位体質量: 180.01982763

名称と識別子

優先名称: 2-Fluoro-5-(trifluoromethyl)phenol
IUPAC: 2-fluoro-5-(trifluoromethyl)phenol
現地名: 2-フルオロ-5-(トリフルオロメチル)フェノール
英語名: 2-Fluoro-5-(trifluoromethyl)phenol
分子式: C7H4F4O
分子量: 180.1

名称と別名

2-Fluoro-5-(trifluoromethyl)phenol141483-15-0DTXSID20333842RefChem:87095DTXCID30284932626-640-6MCOSBFKOUQAIJS-UHFFFAOYSA-N2-fluoro-5-trifluoromethylphenolPhenol, 2-fluoro-5-(trifluoromethyl)-MFCD000612864-Fluoro-3-hydroxybenzotrifluorideSCHEMBL104056

名称をさらに表示

2-フルオロ-5-(トリフルオロメチル)フェノール4-フルオロ-3-ヒドロキシ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フェノール2-Fluoro-5-(trifluorà,à,à,6-tetrafluoro-m-cresol2-Fluoro-5-(trifuoroMethyl)phenol2-Fluoro-5-(trifluoromethyl)phenol>2-Fluoro-5-(trifluoromethyl)phenol98%2-Fluoro-5-(trifluoromethyl)phenol 98%alpha,alpha,alpha,6-Tetrafluoro-m-cresol

SCHEMBL34590722-Fluoro-5-trifluoromethyl-phenol5-(trifluoromethyl)-2-fluorophenolSBB089622AKOS005258020AC-3811CS-W017229DS-0822

データベース識別子

CAS: 141483-15-0
PubChem CID: 518888
DTXSID: DTXSID20333842
EC Number: 626-640-6
Nikkaji: J710.501K

物性

構造計算による物性

XLogP: 2.6
極性表面積: 20.2 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: 146 °C · 146 °C(lit.)
比重(密度): 1.436 g/mL · 1.436 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.439(lit.)
闪点: 135 °F · 135 °F
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): 7.7 · 7.70±0.10(Predicted)
外見: 液体
比重: 1.436 · 1.436
色: 無色透明～オレンジ色
BRN: 8392138 · 8392138
InChI: 1S/C7H4F4O/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3,12H
InChIKey: MCOSBFKOUQAIJS-UHFFFAOYSA-N
SMILES: Oc1cc(ccc1F)C(F)(F)F
CAS データベース: 141483 · 141483-15-0(CAS DataBase Reference)

化学的性質

化学的特性Clear colorless to orange liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (97.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 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. 3 (97.9%)

安全データ

wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29081990
risk_code: 20/21/22-36/37/38
消防法: 危-4-2-III
hazard_code: Xn,T
hazard_note: Toxic
safety_code: 26-36
hazard_class: 3
packing_group: III
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids