Basic information
- CAS
704909-66-0- Standard SMILES
C[C@@H](O)c1ccc(F)cc1Br- InChIKey
LPYZIWSUVOQESX-RXMQYKEDSA-N- Molecular formula
- C8H8BrFO
- Average molar mass
- 219.05 g/mol
- Monoisotopic mass
- 217.97426
Names & identifiers
- Preferred name
- (R)-1-(2-bromo-4-fluorophenyl)ethanol
- IUPAC
- (1R)-1-(2-bromo-4-fluorophenyl)ethanol
- English name
- (R)-1-(2-bromo-4-fluorophenyl)ethanol
- Molecular formula
- C8H8BrFO
- Molecular weight
- 219.05
Names & synonyms
704909-66-0(R)-1-(2-bromo-4-fluorophenyl)ethanol(1R)-1-(2-bromo-4-fluorophenyl)ethan-1-ol(1R)-1-(2-BROMO-4-FLUOROPHENYL)ETHANOL(AlphaR)-2-bromo-4-fluoro-alpha-methylbenzenemethanolSCHEMBL2478679MFCD18074359(R)-1-(2-bromo-4-fluorophenyl)ethan-1-olCS-0238227G73428EN300-1915717F655510
Show more names
Benzenemethanol, 2-bromo-4-fluoro-α-methyl-, (αR)-
(1R)-1-(2-Bromo-4-fluorophenyl)ethan-1-ol - [B88500]Benzenemethanol, 2-bromo-4-fluoro-alpha-methyl-, (alphaR)-
Database identifiers
- CAS
704909-66-0- PubChem CID
- 9920845
- EC Number
- 115-603-5
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Boiling point
- 260.3 · 260.3±25.0 °C(Predicted)
- Density
- 1.554 · 1.554±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 13.95 · 13.95±0.20(Predicted)
- Appearance
- White to off-white Solid
- HS Code
- 2905599890 · 2905599890
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2905599890
Chemistry & industry
Suppliers4 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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