2-Bromomethyl-1,3-dioxane
Basic information
- CAS
5695-63-6- Standard SMILES
BrCC1OCCCO1- InChIKey
QAURNRYFMGYNRF-UHFFFAOYSA-N- Molecular formula
- C5H9BrO2
- Average molar mass
- 181.03 g/mol
- Monoisotopic mass
- 179.97859
Names & identifiers
- Preferred name
- 2-Bromomethyl-1,3-dioxane
- IUPAC
- 2-(bromomethyl)-1,3-dioxane
- English name
- 2-(Bromomethyl)-1,3-dioxane
- Molecular formula
- C5H9BrO2
- Molecular weight
- 181.03
Names & synonyms
5695-63-62-bromomethyl-1,3-dioxaneDTXSID50307591RefChem:257672DTXCID702587182-(bromomethyl)-1,3-dioxaneNSC193315SCHEMBL4996500QAURNRYFMGYNRF-UHFFFAOYSA-NFAA69563AKOS006287462NSC-193315
Show more names
1,3-dioxan-2-ylmethyl bromide
Database identifiers
- CAS
5695-63-6- PubChem CID
- 303683
- DTXSID
DTXSID50307591- EC Number
- 182-539-2
- Nikkaji
- J1.054.869A
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 61.4
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
Danger
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P370+P378, P403, P403+P233, P405, and P501 (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. Liq. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses2-(Bromomethyl)-1,3-dioxane is synthesized from the catalytic effect of crown ethers on the bromination of 2-methyl-1,3-dioxacycloalkanes with N-bromosuccinimide.
Suppliers
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Related reactions
7 records
Compound notes
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