Basic information
- CAS
31608-22-7- Standard SMILES
BrCCCCOC1CCCCO1- InChIKey
DFXFQWZHKKEJDM-UHFFFAOYSA-N- Molecular formula
- C9H17BrO2
- Average molar mass
- 237.13 g/mol
- Monoisotopic mass
- 236.04119188
Names & identifiers
- Preferred name
- 2-(4-Bromobutoxy)tetrahydro-2H-pyran
- IUPAC
- 2-(4-bromobutoxy)oxane
- English name
- 2-(4-Bromobutoxy)tetrahydro-2H-pyran
- Molecular formula
- C9H17BrO2
- Molecular weight
- 237.13
Names & synonyms
2-(4-Bromobutoxy)tetrahydro-2H-pyran31608-22-7DTXSID00339827RefChem:251955DTXCID402909082-(4-bromobutoxy)oxaneMFCD066541172-(4-Bromobutoxy)-tetrahydro-2H-pyran2-(4-Bromobutoxy)tetrahydropyran4-(tetrahydropyranyloxy)butyl bromide1-bromo-4-(tetrahydropyran-2-yloxy)butaneB3186
Show more names
2-(4-Bromobutyloxy)tetrahydro-2H-pyran2-(4-Bromobutoxy)tetrahydro-2H-pyran >1-bromo-4-(tetrahydropyran-2-yloxy)butane4-bromobutyl tetrahydro-2H-pyran-2-yl ether1-Bromo-4-(tetrahydro-2H-pyran-2-yloxy)butane
CS-01366052-(4-Bromobutoxy)tetrahydro-2H-pyran, 98%C746274-Bromobutyl tetra2H-Pyran, 2-(4-bromobutoxy)tetrahydro-SCHEMBL217068SCHEMBL88680292-(4-Bromobutoxy)-tetrahydropyran
Database identifiers
- CAS
31608-22-7- PubChem CID
- 559019
- DTXSID
DTXSID00339827- EC Number
- 987-836-8
- Nikkaji
- J304.322C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 109
Physicochemical properties
- Boiling point
- 284.9 · 284.9±35.0 °C(Predicted)
- Density
- 1.29 · 1.29
- refractive index
- 1.478 · 1.4780-1.4820
- storage temp.
- Freezer
- form
- clear liquid
- color
- Colorless to Almost colorless
- CAS DataBase Reference
- 31608 · 31608-22-7
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HS Code
- 2932.99 · 2932.99.9090
Safety & regulation
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- hs_code
- 2932.99.9090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
18 records
Compound notes
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