1-[3,5-Bis(trifluoromethyl)phenyl]ethanol - CAS 368-63-8
Catalog: |
BB023116 |
Product Name: |
1-[3,5-Bis(trifluoromethyl)phenyl]ethanol |
CAS: |
368-63-8 |
Synonyms: |
1-[3,5-bis(trifluoromethyl)phenyl]ethanol; 1-[3,5-bis(trifluoromethyl)phenyl]ethanol |
IUPAC Name: | 1-[3,5-bis(trifluoromethyl)phenyl]ethanol |
Description: | 1-[3,5-Bis(trifluoromethyl)phenyl]ethanol (CAS# 368-63-8) is a useful research chemical. |
Molecular Weight: | 258.16 |
Molecular Formula: | C10H8F6O |
Canonical SMILES: | CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O |
InChI: | InChI=1S/C10H8F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5,17H,1H3 |
InChI Key: | MMSCIQKQJVBPIR-UHFFFAOYSA-N |
Boiling Point: | 175.8 °C at 760 mmHg |
Density: | 1.376 g/cm3 |
MDL: | MFCD01632521 |
LogP: | 3.77750 |
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-111303066-A | Preparation method of aprepitant impurity | 20200409 |
WO-2020119740-A1 | Engineered ketoreductase polypeptides and uses thereof | 20181215 |
EP-3894548-A1 | Engineered ketoreductase polypeptides and uses thereof | 20181215 |
CN-108441433-B | Rhodotorula mucilaginosa NQ1 and application thereof in preparation of chiral alcohol | 20180331 |
US-2019337961-A1 | Antidiabetic spirochroman compounds | 20161220 |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.04793385 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.04793385 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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