(S)-alpha-Methyl-3-(trifluoromethyl)benzyl Alcohol - CAS 96789-80-9
Catalog: |
BB042005 |
Product Name: |
(S)-alpha-Methyl-3-(trifluoromethyl)benzyl Alcohol |
CAS: |
96789-80-9 |
Synonyms: |
(1S)-1-[3-(trifluoromethyl)phenyl]ethanol; (1S)-1-[3-(trifluoromethyl)phenyl]ethanol |
IUPAC Name: | (1S)-1-[3-(trifluoromethyl)phenyl]ethanol |
Description: | (S)-alpha-Methyl-3-(trifluoromethyl)benzyl Alcohol (CAS# 96789-80-9) is a useful research chemical. |
Molecular Weight: | 190.16 |
Molecular Formula: | C9H9F3O |
Canonical SMILES: | CC(C1=CC(=CC=C1)C(F)(F)F)O |
InChI: | InChI=1S/C9H9F3O/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-6,13H,1H3/t6-/m0/s1 |
InChI Key: | YNVXCOKNHXMBQC-LURJTMIESA-N |
Boiling Point: | 206.9 °C at 760 mmHg |
Density: | 1.234 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 2.75870 |
Publication Number | Title | Priority Date |
CN-112176019-A | Method for preparing (R) -1- (3-trifluoromethylphenyl) ethanol by biological catalysis | 20200918 |
WO-2021074227-A1 | 2-methyl-aza-quinazolines | 20191015 |
WO-2020254451-A1 | Anticancer combination therapy | 20190619 |
US-2019194192-A1 | Novel benzylamino substituted pyridopyrimidinones and derivatives as sos1 inhibitors | 20171221 |
US-10829487-B2 | Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors | 20171221 |
PMID | Publication Date | Title | Journal |
16841347 | 20061016 | Substituent effects on the stereochemistry of gas-phase intracomplex nucleophilic substitutions | Chemistry (Weinheim an der Bergstrasse, Germany) |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.06054939 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.06054939 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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