3-Fluoro-5-(trifluoromethyl)benzyl Alcohol - CAS 184970-29-4
Catalog: |
BB014173 |
Product Name: |
3-Fluoro-5-(trifluoromethyl)benzyl Alcohol |
CAS: |
184970-29-4 |
Synonyms: |
[3-fluoro-5-(trifluoromethyl)phenyl]methanol; [3-fluoro-5-(trifluoromethyl)phenyl]methanol |
IUPAC Name: | [3-fluoro-5-(trifluoromethyl)phenyl]methanol |
Description: | 3-Fluoro-5-(trifluoromethyl)benzyl Alcohol (CAS# 184970-29-4) is a useful research chemical. |
Molecular Weight: | 194.13 |
Molecular Formula: | C8H6F4O |
Canonical SMILES: | C1=C(C=C(C=C1C(F)(F)F)F)CO |
InChI: | InChI=1S/C8H6F4O/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3,13H,4H2 |
InChI Key: | LTWAIZVPDMHGOE-UHFFFAOYSA-N |
Boiling Point: | 81 ℃ / 3 mmHg, 183.9 ℃ at 760 mmHg |
Density: | 1.377 g/cm3 |
MDL: | MFCD00061169 |
LogP: | 2.33680 |
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 (80%): 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 |
WO-2020035424-A1 | New heterocyclic compounds as monoacylglycerol lipase inhibitors | 20180813 |
WO-2020035425-A1 | New heterocyclic compounds as monoacylglycerol lipase inhibitors | 20180813 |
AU-2019322161-A1 | New heterocyclic compounds as monoacylglycerol lipase inhibitors | 20180813 |
CA-3098272-A1 | New heterocyclic compounds as monoacylglycerol lipase inhibitors | 20180813 |
TW-202021970-A | New heterocyclic compounds | 20180813 |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.03547746 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.03547746 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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