(S)-(+)-alpha-(Trifluoromethyl)benzyl alcohol - CAS 340-06-7
Catalog: |
BB050201 |
Product Name: |
(S)-(+)-alpha-(Trifluoromethyl)benzyl alcohol |
CAS: |
340-06-7 |
Synonyms: |
(S)-2,2,2-trifluoro-1-phenylethanol; (1S)-2,2,2-trifluoro-1-phenylethan-1-ol; (+)-Phenyl(trifluoromethyl)carbinol; (S)-(+)-1-Phenyl-2,2,2-trifluoroethanol |
IUPAC Name: | (1S)-2,2,2-trifluoro-1-phenylethanol |
Description: | (S)-(+)-alpha-(Trifluoromethyl)benzyl alcohol (CAS# 340-06-7 ) is a useful research chemical. |
Molecular Weight: | 176.14 |
Molecular Formula: | C8H7F3O |
Canonical SMILES: | C1=CC=C(C=C1)C(C(F)(F)F)O |
InChI: | InChI=1S/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H/t7-/m0/s1 |
InChI Key: | VNOMEAQPOMDWSR-ZETCQYMHSA-N |
Boiling Point: | 189.7±0.0 °C at 760 mmHg |
Melting Point: | 83-85 °C |
Flash Point: | 84 °C(183.2 °F) |
Purity: | 99 % |
Density: | 1.3±0.1 g/cm3 |
MDL: | MFCD00077845 |
Refractive Index: | 1.46 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P302+P352 - P305+P351+P338 |
Signal Word: | Warning |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.04489933 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.04489933 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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