CAS 395-44-8 1-(Bromomethyl)-2-(trifluoromethyl)benzene (HCID 123057)

名称と識別子

優先名称: 1-(Bromomethyl)-2-(trifluoromethyl)benzene
IUPAC: 1-(bromomethyl)-2-(trifluoromethyl)benzene
現地名: 1-ブロモメチル-2-(トリフルオロメチル)ベンゼン
英語名: 2-(Trifluoromethyl)benzyl bromide
分子式: C8H6BrF3
分子量: 239.03

名称と別名

395-44-81-(Bromomethyl)-2-(trifluoromethyl)benzene2-Trifluoromethylbenzyl bromideEINECS 206-901-7DTXSID70192643RefChem:427219DTXCID10115134206-901-72-(Trifluoromethyl)benzyl bromide2-(trifluoromethyl)benzylbromideo-Trifluoromethylbenzyl bromideMFCD00013558

名称をさらに表示

1-(ブロモメチル)-2-(トリフルオロメチル)ベンゼン1-ブロモメチル-2-(トリフルオロメチル)ベンゼン2-(トリフルオロメチル)ベンジルブロミド2-(ブロモメチル)ベンゾトリフルオリドα-ブロモ-α',α',α'-トリフルオロ-o-キシレンΑ′‐ブロモ‐Α,Α,Α‐トリフルオロ‐O‐キシレンO-(トリフルオロメチル)ベンジル=ブロミドα′-ブロモ-α,α,α-トリフルオロ-ｏ-キシレンTIMTEC-BB SBB006692TrifluoroMethyl)benzyl broMia'-Bromo-a,a,a-trifluoro-o-xyleneO-(TRIFLUOROMETHYL)BENZYL BROMIDEà'-bromo-à,à,à-trifluoro-o-xyleneα′-Bromo-α,α,α-trifluoro-o-xylene2-(Trifluoromethyl)benzylbromide98%

Benzene, 1-(bromomethyl)-2-(trifluoromethyl)-2-(bromomethyl)-1-(trifluoromethyl)benzeneSCHEMBL45272-trifluoromethylbenzylbromide2-trifluoromethyl-benzylbromide2-(Bromomethyl)benzotrifluoride2-trifluoromethyl benzyl bromide2-trifluoromethyl-benzyl bromide

データベース識別子

CAS: 395-44-8
PubChem CID: 123057
DTXSID: DTXSID70192643
EC Number: 206-901-7
Nikkaji: J213.634A

物性

構造計算による物性

XLogP: 3.4
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 144

物理化学的性質

融点: 34 · 34-35 °C
沸点: 72 °C · 72 °C (7.5 mmHg)
比重(密度): 1.571 g/mL · 1.571 g/mL at 25 °C(lit.)
屈折率: 1.496 · 1.496-1.499
闪点: 83 °C · 83 °C
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: powder to lump to clear liquid
色: White or Colorless to Light yellow
比重: 1.571 · 1.571
BRN: 2256977 · 2256977
InChI: InChI=1S/C8H6BrF3/c9-5-6-3-1-2-4-7(6)8(10,11)12/h1-4H,5H2
InChIKey: TXVVVEUSVBLDED-UHFFFAOYSA-N
SMILES: C1(CBr)=CC=CC=C1C(F)(F)F
CAS データベース: 395 · 395-44-8(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Trifluoromethylbenzyl bromide(395-44-8)

化学的性質

化学的特性Colorless to light yellow liqui

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Corr. 1B (100%)

安全データ

wgk: 3
ridadr: 1760
hs_code: 29039990
risk_code: 34
hazard_code: C,Xi
hazard_note: Corrosive/Lachrymatory
safety_code: 45-36/37/39-25-26
hazard_class: 8
packing_group: III
Hazard Classifications: Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野

用途有機合成原料。

使用2-(Trifluoromethyl)benzyl bromide may be used in chemical synthesis.

調製方法 · 1 件

製造方法A solution of 30 ml of phosphorus tribromide in 60 ml of absolute toluene was added dropwise at 20°-30° C. to a solution of 14 g of o-trifluoromethylbenzyl alcohol in 80 ml of absolute toluene. Subsequently, the reaction mixture was stirred at room temperature for 2 hours, the toluene was distilled under reduced pressure, the residue was dissolved in methylene chloride, treated with water and the mixture was adjusted to pH 8.0 with potassium hydrogen carbonate. The aqueous phase was extracted three times with CH2Cl2 and the organic phases were washed twice with water and once with saturated NaCl solution, dried over Na2 SO4 and evaporated under reduced pressure. 2-(Trifluoromethyl)benzyl bromide was obtained as the residue.