Benzene, 1-fluoro-2-(trifluoromethyl)- (HCID 9807)

名称と識別子

優先名称: Benzene, 1-fluoro-2-(trifluoromethyl)-
IUPAC: 1-fluoro-2-(trifluoromethyl)benzene
現地名: 2-フルオロベンゾトリフルオリド
英語名: 2-Fluorobenzotrifluoride
分子式: C7H4F4
分子量: 164.1

名称と別名

2-Fluorobenzotrifluoride392-85-81-Fluoro-2-(trifluoromethyl)benzeneo-FluorobenzotrifluorideBenzene, 1-fluoro-2-(trifluoromethyl)-NSC 10314o,alpha,alpha,alpha-TetrafluorotolueneEINECS 206-880-4DTXSID6059940RefChem:562484DTXCID9039606InChI=1/C7H4F4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4

名称をさらに表示

2-フルオロベンゾトリフルオリド2-(トリフルオロメチル)-1-フルオロベンゼン1-フルオロ-2-(トリフルオロメチル)ベンゼンα,α,α,2-テトラフルオロトルエン2-(トリフルオロメチル)フェニルフルオリド2-フルオロベンゾトリフルオライド1-フルオロ-2-トリフルオロメチルベンゼンO-フルオロベンゾトリフルオリドuorobenzotrifL2-tetrafluorotoluene2-Fluorobenzotrifluo2-Fluorobezotrifluorideo-fluorotrifluorotoluene2-Fluoro trifluoroMethylà,à,à,2-tetrafluorotoluene

1-FLUORO-2-TRIFLUOROMETHYLBENZENEalpha,alpha,alpha,2-TetrafluorotolueneMFCD000003741-fluoro-2-trifluoromethyl-benzene2-fluoro-1-(trifluoromethyl)benzeneBenzene, fluoro(trifluoromethyl)-alpha,alpha,alpha,Ar-TetrafluorotolueneA,A,A,2-TETRAFLUOROTOLUENE

データベース識別子

CAS: 392-85-8
PubChem CID: 9807
DTXSID: DTXSID6059940
EC Number: 206-880-4
Nikkaji: J213.623F

物性

構造計算による物性

XLogP: 3
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 129

実験および物理化学的性質

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

物理化学的性質

融点: -49 °C · -49°C
沸点: 114 · 114-115 °C750 mm Hg(lit.)
比重(密度): 1.293 g/mL · 1.293 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.406(lit.)
闪点: 64 °F · 64 °F
貯蔵温度: 2 · Sealed in dry,2-8°C
外見: clear liquid
比重: 1.31 · 1.31
色: Colorless to Light yellow to Light orange
BRN: 2046638 · 2046638
InChI: InChI=1S/C7H4F4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
InChIKey: BGVGHYOIWIALFF-UHFFFAOYSA-N
SMILES: C1(F)=CC=CC=C1C(F)(F)F
CAS データベース: 392 · 392-85-8(CAS DataBase Reference)
NISTの化学物質情報: 1 · Benzene, 1-fluoro-2-(trifluoromethyl)-(392-85-8)
EPAの化学物質情報: 1 · Benzene, 1-fluoro-2-(trifluoromethyl)- (392-85-8)

化学的性質

化学的特性clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 46 reports by companies from 6 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. 2 (100%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
hs_code: 29039990
risk_code: 11-36/37/38
消防法: 危-4-1-II
hazard_code: F,Xi
hazard_note: Flammable/Irritant
safety_code: 16-26-33-24/25-7/9
hazard_class: 3
packing_group: II
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing InformationBenzene, 1-fluoro-2-(trifluoromethyl)-: INACTIVE

応用分野

用途有機合成原料。

使用2-Fluorobenzotrifluoride was used in the synthesis of 2,2′-bis(trifluoromethylphenoxy)biphenyl via nucleophilic aromatic substitution reaction with 2,2′-biphenol.