4-Bromo-3,5-dimethyl-1H-pyrazole-1-methanol - CAS 94230-83-8

Catalog:	BB046050
Product Name:	4-Bromo-3,5-dimethyl-1H-pyrazole-1-methanol
CAS:	94230-83-8
Synonyms:	(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methanol; (4-bromo-3,5-dimethylpyrazolyl)methan-1-ol; 4-Bromo-3,5-dimethylpyrazole-1-methanol

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(4-bromo-3,5-dimethylpyrazol-1-yl)methanol
Description:	4-Bromo-3,5-dimethyl-1H-pyrazole-1-methanol (CAS# 94230-83-8 ) is a useful research chemical.
Molecular Weight:	205.05
Molecular Formula:	C6H9BrN2O
Canonical SMILES:	CC1=C(C(=NN1CO)C)Br
InChI:	InChI=1S/C6H9BrN2O/c1-4-6(7)5(2)9(3-10)8-4/h10H,3H2,1-2H3
InChI Key:	ZPUHCXLBXSSWLL-UHFFFAOYSA-N
Boiling Point:	282.8 °C at 760 mmHg
Purity:	95 %
Density:	1.65 g/cm³
Appearance:	White solid

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Related Functional Groups

Halides

[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid

Oxygen Compounds

[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[88-60-8]
2-tert-Butyl-5-methylphenol
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[87399-40-4]
4-Chloro-4-(2-methoxyethyl)oxane

Pyrazoles

[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
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.98983
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	203.98983
Rotatable Bond Count:	1
Topological Polar Surface Area:	38
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1