4-(2-Chloroethyl)-1-methyl-1H-pyrazole - CAS 1093881-63-0

Catalog:	BB051936
Product Name:	4-(2-Chloroethyl)-1-methyl-1H-pyrazole
CAS:	1093881-63-0
Synonyms:	1H-pyrazole, 4-(2-chloroethyl)-1-methyl-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-(2-chloroethyl)-1-methylpyrazole
Molecular Weight:	144.60
Molecular Formula:	C6H9ClN2
Canonical SMILES:	CN1C=C(C=N1)CCCl
InChI:	InChI=1S/C6H9ClN2/c1-9-5-6(2-3-7)4-8-9/h4-5H,2-3H2,1H3
InChI Key:	OAYGXNCRHZTQEB-UHFFFAOYSA-N

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Related Functional Groups

Halides

[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride
[4185-62-0]
2-Bromo-1-nitronaphthalene
[98447-30-4]
2-Bromo-4-methoxynitrobenzene
[712347-12-1]
3-(2-Chloro-6-fluorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[618-40-6]
1-Methyl-1-phenylhydrazine
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid

Pyrazoles

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[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]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	87.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.045426
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	144.045426
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1