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(1-(2,2,2-Trifluoroethyl)-1H-pyrazol-5-yl)methanol

(1-(2,2,2-Trifluoroethyl)-1H-pyrazol-5-yl)methanol - CAS 1296225-26-7

Catalog:	BB051687
Product Name:	(1-(2,2,2-Trifluoroethyl)-1H-pyrazol-5-yl)methanol
CAS:	1296225-26-7
Synonyms:	[1-(2,2,2-trifluoroethyl)pyrazol-5-yl]methan-1-ol

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
Molecular Weight:	180.13
Molecular Formula:	C6H7F3N2O
Canonical SMILES:	C1=C(N(N=C1)CC(F)(F)F)CO
InChI:	InChI=1S/C6H7F3N2O/c7-6(8,9)4-11-5(3-12)1-2-10-11/h1-2,12H,3-4H2
InChI Key:	OLEOSAFQUZVEJJ-UHFFFAOYSA-N
Boiling Point:	229.2±40.0 °C at 760 mmHg
Density:	1.4±0.1 g/cm3

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Related Functional Groups

Alcohols and Derivatives

[77987-49-6]
Z-Glycinol
[112256-09-4]
1-Cyclopentyl-2-propyn-1-ol
[18621-17-5]
1-Benzhydrylazetan-3-ol
[4780-79-4]
1-Naphthalenemethanol
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[162894-76-0]
2-Hydroxyethane-1-sulfonamide

Fluorinated Building Blocks

[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[151585-93-2]
2-Amino-6-fluorobenzaldehyde
[459836-92-1]
3,6-Difluoro-2-methylbenzoic acid
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[1211518-11-4]
4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine
[861225-50-5]
4-Chloro-4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione

Nitrogen Compounds

[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[158387-00-9]
3-Oxo-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanenitrile
[1256633-32-5]
4,5-Isoxazoledicarbonitrile

Pyrazoles

[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

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

Complexity:	150
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:	2
Topological Polar Surface Area:	38
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4