1,3-Dioxane, 2-(2-bromoethyl)-

HCID 520656CAS 33884-43-4

基本情報

標準SMILES: BrCCC1OCCCO1
InChIKey: WMDHQEHPOVOEOG-UHFFFAOYSA-N
分子式: C6H11BrO2
平均分子量: 195.05 g/mol
単同位体質量: 193.99424169

名称と識別子

優先名称: 1,3-Dioxane, 2-(2-bromoethyl)-
IUPAC: 2-(2-bromoethyl)-1,3-dioxane

名称と別名

2-(2-Bromoethyl)-1,3-dioxane1,3-Dioxane, 2-(2-bromoethyl)-2(2-Bromoethyl)-1,3-dioxaneWMDHQEHPOVOEOG-UHFFFAOYSA-DTXSID10885567RefChem:727701,3Dioxane, 2(2bromoethyl)DTXCID701024933251-716-7EINECS 251-716-7InChI=1/C6H11BrO2/c7-3-2-6-8-4-1-5-9-6/h6H,1-5H2WMDHQEHPOVOEOG-UHFFFAOYSA-N

名称をさらに表示

33884-43-43-Bromopropionaldehyde trimethylene acetalMFCD000065672-(2-Bromethyl)-1,3-dioxane2-(2-bromoethyl)-[1,3]dioxaneAKOS0158362302-(2-Bromoethyl)-1,3-dioxane, 98%2-(2-Bromoethyl)-m-dioxane; 2-(1,3-Dioxan-2-yl)ethyl Bromide; 2-(2-Bromoethyl)-1,3-dioxane; 2-(beta-Bromoethyl)-1,3-dioxane; 3,3-(Trimethylenedioxy)propyl Bromide;

データベース識別子

CAS: 33884-43-4
PubChem CID: 520656
DTXSID: DTXSID10885567
EC Number: 251-716-7
Nikkaji: J208.109A

物性

構造計算による物性

XLogP: 1.3
極性表面積: 18.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 9
形式電荷: 0
複雑度: 71.5

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Ethers

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 2.1% (1 of 47) of reports.

Warning

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See 2-(3-Bromophenyl)-1,3-dioxolane. See 4,4-Dimethyl-1,3-dioxane. See 2,3-Dichloro-1,4-dioxane. See 1,3-Dioxane.

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)