2,3,4-トリフルオロフェノール

2,3,4-Trifluorophenol

HCID 123174

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 2822-41-5
標準SMILES: Oc1ccc(F)c(F)c1F
InChIKey: IJGSULQFKYOYEU-UHFFFAOYSA-N
分子式: C6H3F3O
平均分子量: 148.08 g/mol
単同位体質量: 148.01359938

名称と識別子

優先名称: 2,3,4-Trifluorophenol
IUPAC: 2,3,4-trifluorophenol
現地名: 2,3,4-トリフルオロフェノール
英語名: 2,3,4-TRIFLUOROPHENOL
分子式: C6H3F3O
分子量: 148.08

名称と別名

2,3,4-TrifluorophenolPhenol,2,3,4-trifluoro-Phenol, 2,3,4-trifluoro-IJGSULQFKYOYEU-UHFFFAOYSA-DTXSID30182469RefChem:81316DTXCID90104960624-427-2IJGSULQFKYOYEU-UHFFFAOYSA-NInChI=1/C6H3F3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H2822-41-5trifluorophenol

名称をさらに表示

2,3,4-トリフルオロフェノール2，3，4‐トリフルオロフェノ-ル2,3,4‐トリフルオロフェノール2,3,4-TrifL3-chloro-4-flurotoluene2,3,4-Trifluorophenol98%2,3,4-Trifluorophenol 98%2,3,4-Trifluorophenol,97%2,3,4-TRIFLUOROPHENOL ISO 9001：2015 REACH

MFCD000424262,3,4-Trifluorophenol Hydrate2,3,4-trifluoro-phenolSCHEMBL78856SCHEMBL155976SCHEMBL164243SCHEMBL160501312,3,4-Trifluorophenol, 97%

データベース識別子

CAS: 2822-41-5
PubChem CID: 123174
DTXSID: DTXSID30182469
EC Number: 624-427-2
Nikkaji: J432.239H

物性

構造計算による物性

XLogP: 1.9
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: 4
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 120

物理化学的性質

融点: 30 · 30-34 °C (lit.)
沸点: 69 °C/43 · 69 °C/43 mmHg (lit.)
比重(密度): 1.46 g/mL · 1.46 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.465(lit.)
闪点: 138 °F · 138 °F
貯蔵温度: Sealed in dry,Room Temperature
溶解性: DMSO (Slightly), Methanol (Slightly)
外見: powder to lump to clear liquid
色: White or Colorless to Light orange to Yellow
比重: 1.46 · 1.460
水溶解度: 62.2 g/L · 62.2g/L(25℃)
BRN: 3245610 · 3245610
InChI: 1S/C6H3F3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
InChIKey: IJGSULQFKYOYEU-UHFFFAOYSA-N
SMILES: Oc1ccc(F)c(F)c1F
CAS データベース: 2822 · 2822-41-5(CAS DataBase Reference)
NISTの化学物質情報: 2 · Phenol,2,3,4-trifluoro-(2822-41-5)

化学的性質

化学的特性clear colorless to slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H228 (97.9%): Flammable solid [Danger Flammable solids]

P210, P240, P241, 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, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 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

Regulatory InformationPhenol, 2,3,4-trifluoro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Sol. 1 (97.9%)

安全データ

wgk: 3
ridadr: UN 1325 4.1/PG 2
hs_code: 29081000
risk_code: 20/21/22-36/37/38-34-11
消防法: 危-4-2-III
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-36/37/39-45-16
hazard_class: 4.1
packing_group: III
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Flam. Sol. 1Skin Irrit. 2STOT SE 3
ストレージクラス: 4.1B - Flammable solid hazardous materials

化学と産業

応用分野

使用2,3,4-Trifluorophenol can be used as a supported catalyst for olefin polymerization and load methods. It can also be used as a resin compound for cladding of optical fiber.

一般的な説明2,3,4-Trifluorophenol is an ortho-fluorinated trifluorophenol. Biodegradation and oxidative biodehalogenation of 2,3,4-trifluorophenol has been studied by 19F nuclear magnetic resonance (NMR) spectra.