4-Bromopyrazole - CAS 2075-45-8

Catalog:	BB016258
Product Name:	4-Bromopyrazole
CAS:	2075-45-8
Synonyms:	4-bromo-1H-pyrazole

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	4-bromo-1H-pyrazole
Description:	4-Bromopyrazole (CAS# 2075-45-8) is also shown to be one of the 4-Substituted pyrazoles, being able to act as inhibitor of liver alcohol dehydrogenase.
Molecular Weight:	146.97
Molecular Formula:	C3H3BrN2
Canonical SMILES:	C1=C(C=NN1)Br
InChI:	InChI=1S/C3H3BrN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
InChI Key:	WVGCPEDBFHEHEZ-UHFFFAOYSA-N
Boiling Point:	250-260 °C
Melting Point:	93-96 °C
Purity:	95 %
Density:	1.904 g/cm³
Appearance:	White to cream crystalline powder
MDL:	MFCD00075602
LogP:	1.17220

Publication Number	Title	Priority Date
CN-113336751-A	High-efficiency salt-induced kinase inhibitor and preparation method thereof	20210531
CN-113200976-A	3-aryl azabicyclo derivatives, preparation thereof and nematicidal application thereof	20210517
CN-112480006-A	Synthetic preparation method of 4-pyrazole ethyl formate	20201201
CN-112225722-A	Method for preparing crizotinib intermediate by using microchannel reactor	20201112
WO-2021201036-A1	Hydroxypyrrolidine derivative and medicinal application thereof	20200331

PMID	Publication Date	Title	Journal
22249784	20120801	Kinetic and thermodynamic analysis for lipase-catalyzed hydrolytic resolution of (R,S)-alcohols though their azolyl carbamates	Bioprocess and biosystems engineering

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Related Functional Groups

Pyrazoles

[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[62838-59-9]
1-Cyclopentyl-1H-pyrazole

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	48.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.94796
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	145.94796
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3