4-Bromo-1-isopropoxy-2-trifluoromethoxybenzene
Basic information
- CAS
902757-20-4- Standard SMILES
CC(C)Oc1ccc(Br)cc1OC(F)(F)F- InChIKey
BAOBTAWUWBRROT-UHFFFAOYSA-N- Molecular formula
- C10H10BrF3O2
- Average molar mass
- 299.08 g/mol
- Monoisotopic mass
- 297.98163
Names & identifiers
- Preferred name
- 4-Bromo-1-isopropoxy-2-trifluoromethoxybenzene
- IUPAC
- 4-bromo-1-propan-2-yloxy-2-(trifluoromethoxy)benzene
- English name
- 4-Bromo-1-isopropoxy-2-trifluoromethoxybenzene
- Molecular formula
- C10H10BrF3O2
- Molecular weight
- 299.08
Names & synonyms
902757-20-44-Bromo-1-isopropoxy-2-trifluoromethoxybenzeneBenzene, 4-bromo-1-(1-methylethoxy)-2-(trifluoromethoxy)-MFCD284017944-bromo-1-isopropoxy-2-(trifluoromethoxy)benzeneSCHEMBL3007597DTXSID001208623CS-0192897E93529F6306064-bromo-1-propan-2-yloxy-2-(trifluoromethoxy)benzene4-Bromo-1-(1-methylethoxy)-2-(trifluoromethoxy)benzene
Show more names
4-Bromo-1-[(propan-2-yl)oxy]-2-(trifluoromethoxy)benzene
Database identifiers
- CAS
902757-20-4- PubChem CID
- 68475701
- DTXSID
DTXSID001208623
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 233.7 · 233.7±35.0 °C(Predicted)
- Density
- 1.47 · 1.470±0.06 g/cm3(Predicted)
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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