1,3-Dioxane, 2-(2-bromoethyl)-
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Basic information
- CAS
33884-43-4- 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
- English name
- 2-(2-Bromoethyl)-1,3-dioxane
- Molecular formula
- C6H11BrO2
- Molecular weight
- 195.05
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
)-1,3-dioxane2-BromopropionaldehyLABOTEST-BB LT002331342-(2-bromoethyl)-3-dioxane2-(2-Bromoethyl)-1,3-dioxane>2-(2-Bromoethyl)-1,3-dioxane 98%2-(2-BROMOETHYL)-1,3-DIOXANE, STAB.
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 propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 18.5 Ų
- 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]
Physicochemical properties
- Melting point
- 157 · 157-161 °C
- Boiling point
- 67 · 67-70 °C2.8 mm Hg(lit.)
- Density
- 1.431 g/mL · 1.431 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.481(lit.)
- Flash point
- 206 °F · 206 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- 50 · ethanol: soluble50 (μg/mL)
- form
- Liquid
- color
- Clear colorless
- Water Solubility
- It is not soluble in water but soluble in organic solvent such as ethanol.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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%)
Safety data
- F
- 8-10
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29349990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Dioxane, 2-(2-bromoethyl)-: ACTIVE
Applications
Uses2-(2-Bromoethyl)-1,3-dioxane was used in the synthesis of ketone adducts 2-[3-oxo-4(S)-(triphenylmethyl) amino-6-methylheptyl]-1,3-dioxane and 2-[3-oxo-4(S)-(triphenylmethyl)amino-6-methylheptyl]-1,3-dioxolane.
General DescriptionThe reaction of Grignard reagent prepared from 2-(2-bromoethyl)-1,3-dioxane and N-tert-butanesulfinyl aldimines was studied.
Upstream & downstream products
Upstream raw materials
Related reactions
37 records
Compound notes
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