2-(3-Bromopropyl)-1,3-dioxolane
Basic information
- CAS
62563-07-9- Standard SMILES
BrCCCC1OCCO1- InChIKey
IQIXIJRPYSOGPY-UHFFFAOYSA-N- Molecular formula
- C6H11BrO2
- Average molar mass
- 195.05 g/mol
- Monoisotopic mass
- 193.99424
Names & identifiers
- Preferred name
- 2-(3-Bromopropyl)-1,3-dioxolane
- IUPAC
- 2-(3-bromopropyl)-1,3-dioxolane
- English name
- 2-(3-BroMopropyl)-1,3-dioxolane
- Molecular formula
- C6H11BrO2
- Molecular weight
- 195.05
Names & synonyms
2-(3-bromopropyl)-1,3-dioxolane62563-07-9DTXSID20326815RefChem:251436DTXCID10277928MFCD098686941,3-Dioxolane, 2-(3-bromopropyl)-NSC617308SCHEMBL8894774-Bromobutyraldehyde Ethylene AcetalAKOS015836139NSC-617308
Show more names
NSC 6173084-Bromobutanal ethylene acetal2-(3-Bromopropyl)-1,3-dioxolane >4-Bromobutyraldehyde Ethylene Acetal4-Bromobutylaldehyde Ethylene Acetal
AS-40736SY0538594-bromobutyraldehyde ethylene ketal2-(3-Bromopropyl)-[1,3]dioxolane2-(3-bromopropyl)-1,3A915600FB165923B3463
Database identifiers
- CAS
62563-07-9- PubChem CID
- 357783
- DTXSID
DTXSID20326815- Nikkaji
- J713.291C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 71.5
Physicochemical properties
- Boiling point
- 88 °C/10mmHg · 88°C/10mmHg(lit.)
- Density
- 1.44 · 1.44
- refractive index
- 1.478 · 1.4780-1.4820
- storage temp.
- 0 · 0-10°C
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- InChI
- InChI=1S/C6H11BrO2/c7-3-1-2-6-8-4-5-9-6/h6H,1-5H2
- InChIKey
- IQIXIJRPYSOGPY-UHFFFAOYSA-N
- SMILES
- O1CCOC1CCCBr
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 227 · H227
- Precautionary statements
- 210 · P210-P280-P403+P235-P501
- HS Code
- 2932990090 · 2932990090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- Hazard statements
- H227
- Precautionary statements
- P210-P280-P403+P235-P501
Chemistry & industry
Applications
Uses2-(3-Bromopropyl)-1,3-dioxolane is used as a reactant in the synthesis of compounds that act as therapeutic agents.
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Related reactions
2 records
Compound notes
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