1-[3-(Trifluoromethyl)phenyl]ethanol - CAS 454-91-1
Catalog: |
BB025892 |
Product Name: |
1-[3-(Trifluoromethyl)phenyl]ethanol |
CAS: |
454-91-1 |
Synonyms: |
1-[3-(trifluoromethyl)phenyl]ethanol; 1-[3-(trifluoromethyl)phenyl]ethanol |
IUPAC Name: | 1-[3-(trifluoromethyl)phenyl]ethanol |
Description: | 1-[3-(Trifluoromethyl)phenyl]ethanol (CAS# 454-91-1) 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 |
InChI Key: | YNVXCOKNHXMBQC-UHFFFAOYSA-N |
Boiling Point: | 206.9 °C at 760 mmHg |
Density: | 1.234 g/cm3 |
MDL: | MFCD00021868 |
LogP: | 2.75870 |
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: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112176019-A | Method for preparing (R) -1- (3-trifluoromethylphenyl) ethanol by biological catalysis | 20200918 |
CN-110724032-A | Method for preparing alcohol compound by hydrogenation reduction of ketone and aldehyde | 20191106 |
WO-2020254451-A1 | Anticancer combination therapy | 20190619 |
WO-2020243423-A1 | Tead inhibitors and uses thereof | 20190531 |
EP-3240543-A1 | Btk inhibitors | 20141231 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
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: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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