Basic information
- CAS
1033805-88-7- Standard SMILES
OC(c1ccc(Br)cc1F)C(F)(F)F- InChIKey
HXISGRVKWJITSF-UHFFFAOYSA-N- Molecular formula
- C8H5BrF4O
- Average molar mass
- 273.02 g/mol
- Monoisotopic mass
- 271.94598976
Names & identifiers
- Preferred name
- 1-(4-Bromo-2-fluorophenyl)-2,2,2-trifluoroethanol
- IUPAC
- 1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethanol
- English name
- 1-(4-broMo-2-fluorophenyl)-2,2,2-trifluoroethanol
- Molecular formula
- C8H5BrF4O
- Molecular weight
- 273.0223128
Names & synonyms
1033805-88-71-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethanol1-(4-Bromo-2-fluorophenyl)-2,2,2-trifluoroethan-1-ol1-(4-bromo-2-fluoro-phenyl)-2,2,2-trifluoro-ethanolMFCD160679454-Bromo-2-fluoro-alpha-(trifluoromethyl)benzyl AlcoholSCHEMBL610591SCHEMBL29395891DTXSID10734248AKOS010909221SB30300s11162
Show more names
1-(4-Bromo-2-fluorophenyl)-2,2,2-trifluoroethan-1-o4-Bromo-2-fluoro-α-(trifluoromethyl)benzenemethanolBenzenemethanol, 4-bromo-2-fluoro-α-(trifluoromethyl)-1-(4-Bromo-2-fluorophenyl)-2,2,2-trifluoroethan-1-ol - [B93194]
SY250139DB-310990CS-0440236EN300-1931268F765585A1-09019
Database identifiers
- CAS
1033805-88-7- PubChem CID
- 61644635
- DTXSID
DTXSID10734248
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 273.3 · 273.3±40.0 °C(Predicted)
- Density
- 1.735 · 1.735±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 11.21 · 11.21±0.14(Predicted)
- Appearance
- Light yellow to yellow Liquid
Chemistry & industry
Suppliers18 total
珠海奥博凯生物医药技术有限公司400-0628126
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
湖北杰明凯林科技有限公司13817642633 · [email protected]
郑州爱希医药科技有限公司0371-56787280 13137706083
西安峥鎏生物科技有限公司15594552852 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
上海智乾生物科技有限公司[email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
都创（上海）医药科技股份有限公司021-58099077-8041 18601625411 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
22 records
Compound notes
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