4-(Trifluoromethoxy)benzyl alcohol - CAS 1736-74-9
Catalog: |
BB012941 |
Product Name: |
4-(Trifluoromethoxy)benzyl alcohol |
CAS: |
1736-74-9 |
Synonyms: |
[4-(trifluoromethoxy)phenyl]methanol |
IUPAC Name: | [4-(trifluoromethoxy)phenyl]methanol |
Description: | 4-(Trifluoromethoxy)benzyl alcohol (CAS# 1736-74-9) is used in biological processes as substrate specificity of inducible O-demethylase of Sporomusa ovata for methoxynaphthols, methoxyfuran and fluoroanisols under anaerobic conditions. |
Molecular Weight: | 192.14 |
Molecular Formula: | C8H7F3O2 |
Canonical SMILES: | C1=CC(=CC=C1CO)OC(F)(F)F |
InChI: | InChI=1S/C8H7F3O2/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4,12H,5H2 |
InChI Key: | ZLSOZAOCYJDPKX-UHFFFAOYSA-N |
Boiling Point: | 108 °C (25 mmHg) |
Purity: | 95 % |
Density: | 1.326 g/cm3 |
Appearance: | Clear light pink liquid |
MDL: | MFCD00036029 |
LogP: | 2.07750 |
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-110381941-A | The small molecular antagonists and application thereof of the SUMO relevant modifications of CRMP2 | 20170203 |
EP-3455227-A1 | Oxaborole esters and uses thereof | 20160512 |
EP-3578562-A1 | L-valinate amide benzoxaborole derivatives for the treatment of parasitic diseases | 20160512 |
US-10562921-B2 | Oxaborole esters and uses thereof | 20160512 |
US-2017327519-A1 | Oxaborole esters and uses thereof | 20160512 |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.03981395 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.03981395 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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