1,3-Dioxolane, 2-(bromomethyl)-
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Basic information
- CAS
4360-63-8- Standard SMILES
BrCC1OCCO1- InChIKey
CKIIJIDEWWXQEA-UHFFFAOYSA-N- Molecular formula
- C4H7BrO2
- Average molar mass
- 167 g/mol
- Monoisotopic mass
- 165.96294156
Names & identifiers
- Preferred name
- 1,3-Dioxolane, 2-(bromomethyl)-
- IUPAC
- 2-(bromomethyl)-1,3-dioxolane
- English name
- 2-Bromomethyl-1,3-dioxolane
- Molecular formula
- C4H7BrO2
- Molecular weight
- 167
Names & synonyms
2-Bromomethyl-1,3-dioxolane4360-63-82-(bromomethyl)-1,3-dioxolane1,3-Dioxolane, 2-(bromomethyl)-EINECS 224-443-6DTXSID1063431CKIIJIDEWWXQEA-UHFFFAOYSA-RefChem:414886DTXCID8040276224-443-6InChI=1/C4H7BrO2/c5-3-4-6-1-2-7-4/h4H,1-3H2Bromoacetaldehyde ethylene acetal
Show more names
2-(bromomethyl)-3-dioxolane2-Bromomethyl-1,3-diBrassicasterol Impurity 292-Brommethyl-,1,3-dioxolane2-Bromomethyl-1,3-dioxolane 96%2-Bromomethyl-1,3-dioxolane >
MFCD00003214(1,3-Dioxolan-2-yl)methyl bromide2-bromomethyl-1,3-dioxolan2-bromomethyl-[1,3]dioxolane(1,3-dioxolan-2-yl)methylbromideO10502Bromoacetaldehyde diethyl acetallbromomethyl dioxolane
Database identifiers
- CAS
4360-63-8- PubChem CID
- 78068
- DTXSID
DTXSID1063431- EC Number
- 224-443-6
- Nikkaji
- J205.742E
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 51.7
Experimental & physicochemical properties
Density1.613 @25 °C
Physicochemical properties
- Boiling point
- 80 · 80-82 °C27 mm Hg(lit.)
- Density
- 1.613 g/mL · 1.613 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.482(lit.)
- Flash point
- 145 °F · 145 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform, Ethyl Acetate (Slightly)
- form
- Liquid
- color
- Clear colorless
- Water Solubility
- Immiscible with water.
- Sensitive
- Moisture Sensitive
- BRN
- 103309 · 103309
- InChI
- 1S/C4H7BrO2/c5-3-4-6-1-2-7-4/h4H,1-3H2
- InChIKey
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
H315 (100%): 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 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,3-Dioxolane, 2-(bromomethyl)-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
1,3-Dioxolane, 2-(bromomethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety & protection
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29049090
- risk_code
- 36/37/38
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Dioxolane, 2-(bromomethyl)-: ACTIVE
Applications
Uses2-Bromomethyl-1,3-dioxolane is used in the preparation of alfa, beta-unsaturated aldehyde and 1, 4-two aldehyde monoacetals synthesis of monomers.
Uses2-Bromomethyl-1,3-dioxolane was used in the synthesis of 1,4-benzoxazepine (BZO) compounds.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
133 records
Compound notes
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