臭化2-フルオロ-3-メチルベンジル

Benzene, 1-(bromomethyl)-2-fluoro-3-methyl-

HCID 519062CAS 151412-12-3

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1cccc(CBr)c1F
InChIKey: DCGWFNZSJBIAKE-UHFFFAOYSA-N
分子式: C8H8BrF
平均分子量: 203.05 g/mol
単同位体質量: 201.97934058

名称と識別子

優先名称: Benzene, 1-(bromomethyl)-2-fluoro-3-methyl-
IUPAC: 1-(bromomethyl)-2-fluoro-3-methylbenzene
現地名: 臭化2-フルオロ-3-メチルベンジル
英語名: 2-FLUORO-3-METHYLBENZYL BROMIDE
分子式: C8H8BrF
分子量: 203.05

名称と別名

Benzene, 1-(bromomethyl)-2-fluoro-3-methyl-RefChem:5623732-Fluoro-3-methylbenzyl bromide151412-12-31-(Bromomethyl)-2-fluoro-3-methylbenzeneMFCD00042470SCHEMBL1774222-fluoro-3-methylbenzylbromide2-fluoro-3-methyl-benzylbromideDTXSID803338832-Fluoro-3-methyl benzyl bromideSBB005816

名称をさらに表示

臭化2-フルオロ-3-メチルベンジル2-フルオロ-3-メチルベンジルブロミド2-フルオロ-3-メチルベンジルブロミド, 97%TIMTEC-BB SBB0058163-(Bromomethyl)-2-fluorotoluene2-Fluoro-3-methylbenzylbromide98%2-Fluoro-3-methylbenzyl bromide,96%2-Fluoro-3-methylbenzyl bromide 98%

AKOS015854310AC-26195PS-100403-(bromomethyl)-2-fluoro-1-methylbenzene1-(bromomethyl)-2-fluoro-3-methyl-benzene1-(Bromomethyl)-2-fluoro-3-methylbenzene #ST51040000G70619

データベース識別子

CAS: 151412-12-3
PubChem CID: 519062
DTXSID: DTXSID80333883
EC Number: 670-564-6

物性

構造計算による物性

XLogP: 2.9
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 105

物理化学的性質

沸点: 142 °C · 142 °C (40 mmHg)
比重(密度): 1.456 · 1.456±0.06 g/cm3(Predicted)
屈折率: 1.5465 · 1.5465-1.5495
闪点: 105 · 105-106°C/10mm
貯蔵温度: 2 · 2-8°C
外見: solid
色: White
水溶解度: 水に不溶。
BRN: 7473765 · 7473765
CAS データベース: 151412 · 151412-12-3(CAS DataBase Reference)

化学的性質

化学的特性clear colorless to light yellow liquid after

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, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationBenzene, 1-(bromomethyl)-2-fluoro-3-methyl-: Does not have an individual approval but may be used under an appropriate group standard

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