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alpha-(Trifluoromethyl)-1-methyl-1H-imidazole-2-methanol

alpha-(Trifluoromethyl)-1-methyl-1H-imidazole-2-methanol - CAS 107344-63-8

Catalog:	BB002061
Product Name:	alpha-(Trifluoromethyl)-1-methyl-1H-imidazole-2-methanol
CAS:	107344-63-8
Synonyms:	2,2,2-trifluoro-1-(1-methyl-2-imidazolyl)ethanol; 2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethanol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethanol
Description:	alpha-(Trifluoromethyl)-1-methyl-1H-imidazole-2-methanol (CAS# 107344-63-8) is a useful research chemical.
Molecular Weight:	180.13
Molecular Formula:	C6H7F3N2O
Canonical SMILES:	CN1C=CN=C1C(C(F)(F)F)O
InChI:	InChI=1S/C6H7F3N2O/c1-11-3-2-10-5(11)4(12)6(7,8)9/h2-4,12H,1H3
InChI Key:	VCWWANSAFLSDNW-UHFFFAOYSA-N
LogP:	1.01580

Publication Number	Title	Priority Date
AU-2009315448-A1	Carbamate derivatives of alkyl-heterocycles, preparation thereof and therapeutic use thereof	20081114
CA-2743558-A1	Carbamate derivatives of alkyl-heterocycles, preparation thereof and therapeutic use thereof	20081114
CA-2743558-C	Carbamate derivatives of alkyl-heterocycles, preparation thereof and therapeutic use thereof	20081114
EA-019742-B1	CARBAMATE DERIVATIVES OF ALKYL HETEROCYCLES, THEIR RECEIVING AND THEIR APPLICATION IN THERAPY	20081114
EP-2356108-A1	Carbamate derivatives of alkyl-heterocycles, preparation thereof and therapeutic use thereof	20081114

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.05104734
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	180.05104734
Rotatable Bond Count:	1
Topological Polar Surface Area:	38 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3