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4-Bromo-1-ethyl-5-methyl-1H-pyrazole

4-Bromo-1-ethyl-5-methyl-1H-pyrazole - CAS 1171667-09-6

Catalog:	BB053345
Product Name:	4-Bromo-1-ethyl-5-methyl-1H-pyrazole
CAS:	1171667-09-6
Synonyms:	4-bromo-1-ethyl-5-methyl-1H-pyrazole

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-bromo-1-ethyl-5-methylpyrazole
Molecular Weight:	189.05
Molecular Formula:	C6H9BrN2
Canonical SMILES:	CCN1C(=C(C=N1)Br)C
InChI:	InChI=1S/C6H9BrN2/c1-3-9-5(2)6(7)4-8-9/h4H,3H2,1-2H3
InChI Key:	WTWRJJVWOLSSTM-UHFFFAOYSA-N
Boiling Point:	225.9±20.0 °C at 760 mmHg
Purity:	95%
Density:	1.5±0.1 g/cm3
Appearance:	Colorless Liquid

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Related Functional Groups

Halides

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1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
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2,4-di-tert-butyl-6-chloro-1,3,5-triazine
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde
[98447-30-4]
2-Bromo-4-methoxynitrobenzene
[24550-39-8]
3-[(4-Chlorobenzyl)oxy]benzaldehyde

Pyrazoles

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[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]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	97.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.99491
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	187.99491
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6