2-(ジフルオロメトキシ)ベンジルブロミド

1-(Bromomethyl)-2-(difluoromethoxy)benzene

HCID 2736998

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 85684-64-6
標準SMILES: FC(F)Oc1ccccc1CBr
InChIKey: JSYYKHKAGPBIHF-UHFFFAOYSA-N
分子式: C8H7BrF2O
平均分子量: 237.04 g/mol
単同位体質量: 235.96483

名称と識別子

優先名称: 1-(Bromomethyl)-2-(difluoromethoxy)benzene
IUPAC: 1-(bromomethyl)-2-(difluoromethoxy)benzene
現地名: 2-(ジフルオロメトキシ)ベンジルブロミド
英語名: 2-(Difluoromethoxy)benzyl bromide
分子式: C8H7BrF2O
分子量: 237.04

名称と別名

1-(bromomethyl)-2-(difluoromethoxy)benzeneRefChem:427217671-880-72-(Difluoromethoxy)benzyl bromide85684-64-6MFCD001901032-difluoromethoxybenzyl bromide[2-(bromomethyl)phenoxy]difluoromethaneBenzene, 1-(bromomethyl)-2-(difluoromethoxy)-SCHEMBL584655SCHEMBL29974042DTXSID90371756

名称をさらに表示

2-(ジフルオロメトキシ)ベンジルブロミドO-DIFLUOROMETHOXYBENZYLBROMIDEà-bromo-2-difluoromethoxytoluene2-(Difluoromethoxy)benzylbromide98%alpha-Bromo-2-difluoromethoxytoluene2-(Difluoromethoxy)benzyl bromide 98%2-(Difluoromethoxy)benzyl bromide, 97%,1-(Bromomethyl)-2-(difluoromethoxy)benzene, 2-(Bromomethyl)phenyl difluoromethyl ether

a-Bromo-o-(difluoromethoxy)toluene2-(Difluoromethoxy)-benzyl bromide2-DIFLUOROMETHOXYBENZYLBROMIDECL8702SBB0987151-bromomethyl-2-difluoromethoxybenzeneAKOS005207097PS-9972

データベース識別子

CAS: 85684-64-6
PubChem CID: 2736998
DTXSID: DTXSID90371756
EC Number: 671-880-7

物性

構造計算による物性

XLogP: 3.5
極性表面積: 9.2 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: 3
重原子数: 12
形式電荷: 0
複雑度: 132

物理化学的性質

沸点: 222 °C · 222°C
比重(密度): 1 · 1,555 g/cm3
屈折率: 1.518 · 1.518
闪点: 108 °C · 108°C
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: liquid
色: Clear, light orange
水溶解度: 水と混和しない。
CAS データベース: 85684 · 85684-64-6(CAS DataBase Reference)

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 26 reports by companies from 3 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

ridadr: 2922
hs_code: 2909309090
risk_code: 34-36/37/38-40
hazard_code: C
hazard_note: Corrosive/Lachrymatory
safety_code: 24/25-26-36/37/39-45
hazard_class: 8
packing_group: III

化学と産業

応用分野

使用2-(Difluoromethoxy)benzyl bromide is used as a building block in organic synthesis. It also serves as a coupling reagent and N-protecting reagent. Further, it is used as a gas chromatography derivatizing agent.