2-Chloro-5-(trifluoromethyl)benzyl alcohol - CAS 64372-62-9

Catalog:	BB032452
Product Name:	2-Chloro-5-(trifluoromethyl)benzyl alcohol
CAS:	64372-62-9
Synonyms:	[2-chloro-5-(trifluoromethyl)phenyl]methanol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	[2-chloro-5-(trifluoromethyl)phenyl]methanol
Description:	2-Chloro-5-(trifluoromethyl)benzyl alcohol (CAS# 64372-62-9) is a useful research chemical.
Molecular Weight:	210.58
Molecular Formula:	C8H6ClF3O
Canonical SMILES:	C1=CC(=C(C=C1C(F)(F)F)CO)Cl
InChI:	InChI=1S/C8H6ClF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3,13H,4H2
InChI Key:	VEKMDPQNERMQMO-UHFFFAOYSA-N
Boiling Point:	227.1 °C at 760 mmHg
Melting Point:	57-60 °C
Purity:	95 %
Density:	1.416 g/cm³
MDL:	MFCD01631469
LogP:	2.85110

Publication Number	Title	Priority Date
EP-3174537-A1	Monocyclic isoxazolines as inhibitors of cholesterol ester transfer protein	20140729
US-10011572-B2	Monocyclic isoxazolines as inhibitors of cholesterol ester transfer protein	20140729
US-2017210715-A1	Monocyclic isoxazolines as inhibitors of cholesterol ester transfer protein	20140729
WO-2016018729-A1	Monocyclic isoxazolines as inhibitors of cholesterol ester transfer protein	20140729
EP-3174537-B1	Monocyclic isoxazolines as inhibitors of cholesterol ester transfer protein	20140729

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Related Functional Groups

Alcohols and Derivatives

[77987-49-6]
Z-Glycinol
[62972-93-4]
(Z)-11-Octadecen-1-ol
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[4780-79-4]
1-Naphthalenemethanol
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[2892-51-5]
3,4-Dihydroxy-3-cyclobutene-1,2-dione

Oxygen Compounds

[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[77987-49-6]
Z-Glycinol
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde

GHS Hazard Statement:	H301 (84.78%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.0059270
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	210.0059270
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5