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4-(Chloromethyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazole

4-(Chloromethyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazole - CAS 405103-71-1

Catalog:	BB052032
Product Name:	4-(Chloromethyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazole
CAS:	405103-71-1
Synonyms:	4-(chloromethyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazole

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-(chloromethyl)-1-(2,2,2-trifluoroethyl)pyrazole
Molecular Weight:	198.57
Molecular Formula:	C6H6ClF3N2
Canonical SMILES:	C1=C(C=NN1CC(F)(F)F)CCl
InChI:	InChI=1S/C6H6ClF3N2/c7-1-5-2-11-12(3-5)4-6(8,9)10/h2-3H,1,4H2
InChI Key:	MUMSZXKOXYYEGV-UHFFFAOYSA-N

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Related Functional Groups

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[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine

Halides

[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[856848-33-4]
2-Amino-4,5-dibromopyridine

Pyrazoles

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	150
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.0171604
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	198.0171604
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7