Basic information
- CAS
36603-49-3- Standard SMILES
Brc1ccc(OC2CCCCO2)cc1- InChIKey
MXDQGXMBJCGRCB-UHFFFAOYSA-N- Molecular formula
- C11H13BrO2
- Average molar mass
- 257.12 g/mol
- Monoisotopic mass
- 256.00989176
Names & identifiers
- Preferred name
- 2-(4-Bromophenoxy)tetrahydro-2H-pyran
- IUPAC
- 2-(4-bromophenoxy)oxane
- English name
- 2-(4-BROMOPHENOXY)TETRAHYDRO-2H-PYRAN
- Molecular formula
- C11H13BrO2
- Molecular weight
- 257.12
Names & synonyms
2-(4-Bromophenoxy)tetrahydro-2H-pyran36603-49-32-(4-bromophenoxy)oxane2-(4-Bromophenoxy)tetrahydropyran2H-Pyran, 2-(4-bromophenoxy)tetrahydro-MFCD00091551DTXSID404052172-(4-bromophenoxy)-tetrahydropyran2-(4-Bromo-phenoxy)-tetrahydropyran4-Bromo-1-(2-tetrahydropyranoxy)benzeneSY066306SCHEMBL5897
Show more names
4-Bromophenyl THP ether2-(4-Bromophenoxy)-pyran2-(4'-BROMOPHENOXY)-TETRAHYDROPYRAN2-(4'-BROMOPHENOXY)TETRAHYDRO-2H-PYRANp-(Tetrahydropyranyloxy)phenyl bromidep-Bromotetrahydro-2-(pyranyloxy)benzene
Bromophenoxy)tetrahydro-2H-pyran2-(4-bromophenoxy) tetrahydropyranAKOS005254799CS-W0201672-(4-Bromophenoxy)-tetrahydro-2H-pyran2-(4-Bromophenoxyl)tetrahydro-2H-pyranp-(2-tetrahydropyranyloxy)phenyl bromideAS-19861
Database identifiers
- CAS
36603-49-3- PubChem CID
- 4646436
- DTXSID
DTXSID40405217- EC Number
- 917-304-2
- Nikkaji
- J740.582K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 56 · 56-58 °C(lit.)
- Boiling point
- 109 °C · 109 °C(Press: 0.26 Torr)
- Density
- 1.403 · 1.403±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Water Solubility
- Slightly soluble in water.
- InChI
- 1S/C11H13BrO2/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4-7,11H,1-3,8H2
- InChIKey
- MXDQGXMBJCGRCB-UHFFFAOYSA-N
- SMILES
- Brc1ccc(OC2CCCCO2)cc1
- CAS DataBase Reference
- 36603 · 36603-49-3
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29329990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
Uses2-(4-Bromophenoxy)tetrahydropyran can be used to produce 4-bromo-phenol at temperature of 20°C. It is used as pharmaceutical intermediate.
Uses2-(4-Bromophenoxy)tetrahydro-2H-pyran may be used as a starting material in the synthesis of 2-(4-lithiophenoxy)- tetrahydro-2H-pyran and 4-(tetrahydropyranyloxymethyl)phenyl magnesium bromide.
General Description2-(4-Bromophenoxy)tetrahydro-2H-pyran is a halogenated heterocycle that is used as a building block in organic synthesis.
Upstream & downstream products
Downstream products
Suppliers96 total
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Related reactions
25 records
Compound notes
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