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

[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[4860-03-1]
1-Chlorohexadecane
[111-85-3]
1-Chlorooctane
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride

Oxygen Compounds

[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[37503-42-7]
2-Hydroxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
[861434-97-1]
3-(2-Chloro-6-methylphenoxy)-5-nitroaniline
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline

Pyrazoles

[890092-87-2]
(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric 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
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole

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