1-(Bromomethyl)-4-(propan-2-yl)benzene

HCID 47719CAS 65724-11-0

基本情報

標準SMILES: CC(C)c1ccc(CBr)cc1
InChIKey: YXTHBZLABLYGEE-UHFFFAOYSA-N
分子式: C10H13Br
平均分子量: 213.11 g/mol
単同位体質量: 212.02006252

名称と識別子

優先名称: 1-(Bromomethyl)-4-(propan-2-yl)benzene
IUPAC: 1-(bromomethyl)-4-propan-2-ylbenzene
英語名: 4-Isopropyl benzyl bromide
分子式: C10H13Br
分子量: 213.11

名称と別名

73789-86-31-(BROMOMETHYL)-4-(PROPAN-2-YL)BENZENERefChem:427314628-798-14-Isopropylbenzyl bromide1-(Bromomethyl)-4-isopropylbenzene1-(bromomethyl)-4-propan-2-ylbenzenep-CYMENE, BROMO-4-ISOPROPYL BENZYL BROMIDE 97MFCD034272644-IsopropylbenzylbromideBenzene, 1-(bromomethyl)-4-(1-methylethyl)-

名称をさらに表示

4-Isopropyl benzyl bromide65724-11-01-Bromomethyl-4-isopropylbenzeneBromo-p-cymeme1-(bromomethyl)-4-isopropyl-benzeneIsopropyl benzyl bromidep-isopropylbenzyl bromideMetamfepramone Impurity 3

データベース識別子

CAS: 65724-11-0、73789-86-3
PubChem CID: 47719
DTXSID: DTXSID60215931
EC Number: 628-798-1
Nikkaji: J1.010.179D

物性

構造計算による物性

XLogP: 4.3
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 101

物理化学的性質

沸点: 272 · 272-273 °C(lit.)
比重(密度): 1.274 g/mL · 1.274 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.5500(lit.)
闪点: 230 °F · >230 °F

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

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.