Basic information
- CAS
890085-08-2- Standard SMILES
O[C@@H](c1ccc(F)cc1)C(F)(F)F- InChIKey
BDQHSIMDNYIOMB-ZETCQYMHSA-N- Molecular formula
- C8H6F4O
- Average molar mass
- 194.13 g/mol
- Monoisotopic mass
- 194.03547746
Names & identifiers
- Preferred name
- (1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethan-1-ol
- IUPAC
- (1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanol
- English name
- (S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanol
- Molecular formula
- C8H6F4O
- Molecular weight
- 194.13
Names & synonyms
890085-08-2(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethan-1-ol(S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethan-1-ol(S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanol(S)-1-(4-Fluorophenyl)-2,2,2-trifluoroethanolSCHEMBL1272903MFCD22741886SY477666CS-0458612EN300-2004994(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanolBenzenemethanol, 4-fluoro-α-(trifluoromethyl)-, (αS)-
Database identifiers
- CAS
890085-08-2- PubChem CID
- 66972766
- EC Number
- 170-882-0
- Nikkaji
- J2.981.391D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 160
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%)
Chemistry & industry
Suppliers3 total
上海迪外化工科技有限公司021-61551100
杭州文德阶生物科技有限公司0571-86706360 18158111080 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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