1,4-Dioxane, compd. with bromine (1:1)
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Basic information
- CAS
15481-39-7- Standard SMILES
BrBr.C1COCCO1- InChIKey
DTLTUUJDCNTTSN-UHFFFAOYSA-N- Molecular formula
- C4H8Br2O2
- Average molar mass
- 247.91 g/mol
- Monoisotopic mass
- 245.8891
Names & identifiers
- Preferred name
- 1,4-Dioxane, compd. with bromine (1:1)
- IUPAC
- 1,4-dioxane;molecular bromine
- English name
- BROMINE-1,4-DIOXANE COMPLEX
- Molecular formula
- C4H8Br2O2
- Molecular weight
- 247.91
Names & synonyms
15481-39-7RefChem:416903Dioxane dibromide1,4-dioxane;molecular bromineDioxane bromonium bromideMFCD000348181,4-dioxane; dibromine1,4-dioxane compound with dibromine (1:1)SCHEMBL25354365DTXSID50935070Bromine--1,4-dioxane (1/1)NSC80646
Show more names
Bromine-1,4-DioxaneBromo-1,4-dioxane mixtureDIETHYLENE ETHER DIBROMIDE1,4-DIOXANE-BROMINE COMPLEXBROMINE-1,4-DIOXANE COMPLEXBromine-dioxanecomplex(1:1)Bromine (1M in 1,4-Dioxane)DI(ETHYLENE OXIDE) DIBROMIDEDIOXYETHYLENE ETHER DIBROMIDE
QAA48139NSC-80646BS-44070SY020564CS-0447394D88955
Database identifiers
- CAS
15481-39-7- PubChem CID
- 255279
- DTXSID
DTXSID50935070- EC Number
- 678-165-9
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 26.5
Physicochemical properties
- Melting point
- 66 °C · 66 °C
- Boiling point
- 95 °C · 95 °C
- storage temp.
- Freezer
- solubility
- soluble in Methanol
- form
- Liquid
- color
- Clear red
- CAS DataBase Reference
- 15481 · 15481-39-7
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 228 · H228
- Precautionary statements
- 210 · P210-P240-P241-P280
- RIDADR
- 1325 · 1325
- HazardClass
- 4.1 · 4.1
- PackingGroup
- III
- HS Code
- 29329900 · 29329900
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
Warning
H228 (100%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P280, and P370+P378 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Sol. 2 (100%)
Safety data
- ridadr
- 1325
- hs_code
- 29329900
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_class
- 4.1
- packing_group
- III
- Hazard statements
- H228
- Precautionary statements
- P210-P240-P241-P280
Chemistry & industry
Applications
UsesDioxane Bromonium Bromide is used in the synthesis of 2-hydroxy glycals. Also used in the preparation of phytoalexins acting as antimicrobial and antioxidants.
Preparation methods
PreparationA 1:1 complex between 1,4-dioxane and bromine has been prepared and isolated on a 2 mol scale by the addition of bromine to 1,4-dioxane. Bromine-1,4-dioxane complex has also been prepared in situ.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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