5-Ethyl-3-(trifluoromethyl)-1H-pyrazole - CAS 436806-62-1

Name: 5-Ethyl-3-(trifluoromethyl)-1H-pyrazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB047841
Product Name:	5-Ethyl-3-(trifluoromethyl)-1H-pyrazole
CAS:	436806-62-1
Synonyms:	5-ethyl-3-(trifluoromethyl)pyrazole; 1H-Pyrazole, 3-ethyl-5-(trifluoromethyl)-; 3-(Trifluoromethyl)-5-ethyl-1H-pyrazole

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	5-ethyl-3-(trifluoromethyl)-1H-pyrazole
Description:	5-Ethyl-3-(trifluoromethyl)-1H-pyrazole (CAS# 436806-62-1 ) is a useful research chemical.
Molecular Weight:	164.13
Molecular Formula:	C6H7F3N2
Canonical SMILES:	CCC1=CC(=NN1)C(F)(F)F
InChI:	InChI=1S/C6H7F3N2/c1-2-4-3-5(11-10-4)6(7,8)9/h3H,2H2,1H3,(H,10,11)
InChI Key:	KCNZLFVWIBQNTR-UHFFFAOYSA-N

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Related Functional Groups

Fluorinated Building Blocks

[1946823-77-3]C7H9F3N2O
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[452-76-6]C7H6F2
2,4-Difluorotoluene
[1170836-29-9]C12H12F3N5
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[459836-92-1]C8H6F2O2
3,6-Difluoro-2-methylbenzoic acid

Nitrogen Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[32894-07-8]C9H11NS · HCl
Benzyl thioacetimidate hydrochloride
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[916792-07-9]C8H5BrFN
2-Bromo-4-fluoro-5-methylbenzonitrile
[5724-76-5]C7H9NO4
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[862649-86-3]C12H8ClNO5S
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol

Pyrazoles

[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1158353-54-8]C10H13N3O4S
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1855911-19-1]C7H13BrClN3
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole

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:	134
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.05613272
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	164.05613272
Rotatable Bond Count:	1
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2