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

HCID 520656CAS 33884-43-4

Substructure search Find similar structures

Basic information

Standard SMILES: BrCCC1OCCCO1
InChIKey: WMDHQEHPOVOEOG-UHFFFAOYSA-N
Molecular formula: C6H11BrO2
Average molar mass: 195.05 g/mol
Monoisotopic mass: 193.99424169

Names & identifiers

Preferred name: 1,3-Dioxane, 2-(2-bromoethyl)-
IUPAC: 2-(2-bromoethyl)-1,3-dioxane

Names & synonyms

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

Show more names

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;

Database identifiers

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

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 71.5

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Ethers

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

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%)