4-Bromo-1H-pyrazole

Base Information

Chemical Name:4-Bromo-1H-pyrazole
CAS No.:2075-45-8
Molecular Formula:C3H3BrN2
Molecular Weight:146.974
Hs Code.:29331990
European Community (EC) Number:629-057-5
NSC Number:522023
UNII:JCB5VB9RTA
DSSTox Substance ID:DTXSID50174826
Nikkaji Number:J51.208G
Wikidata:Q27458577
ChEMBL ID:CHEMBL4440111
Mol file:2075-45-8.mol

Synonyms:4-bromopyrazole

Suppliers and Price of 4-Bromo-1H-pyrazole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
4-Bromo-1H-pyrazole
1g
$ 110.00

TCI Chemical
4-Bromopyrazole >98.0%(GC)
25g
$ 88.00

TCI Chemical
4-Bromopyrazole >98.0%(GC)
5g
$ 30.00

SynChem
4-Bromo-1H-pyrazole 95%
5 g
$ 15.00

Sigma-Aldrich
4-Bromopyrazole 99%
10g
$ 249.00

Sigma-Aldrich
4-Bromopyrazole 99%
1g
$ 61.30

Oakwood
4-Bromopyrazole
100g
$ 49.00

Oakwood
4-Bromopyrazole
5g
$ 12.00

Oakwood
4-Bromopyrazole
1g
$ 10.00

Oakwood
4-Bromopyrazole
25g
$ 18.00

Total 144 raw suppliers

Chemical Property of 4-Bromo-1H-pyrazole

Chemical Property:

Appearance/Colour:White to cream crystalline powder
Vapor Pressure:0.027mmHg at 25°C
Melting Point:93-96 °C(lit.)
Refractive Index:1.602
Boiling Point:254.999 °C at 760 mmHg
PKA:12.71±0.50(Predicted)
Flash Point:108.038 °C
PSA：28.68000
Density:1.905 g/cm³
LogP:1.17220
Storage Temp.:Inert atmosphere,Room Temperature
Solubility.:Chloroform, DMSO, Methanol
Water Solubility.:Slightly soluble in water.
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:145.94796
Heavy Atom Count:6
Complexity:48.1

Purity/Quality:

99%· ^*data from raw suppliers

4-Bromo-1H-pyrazole ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C=NN1)Br
Uses 4-Bromopyrazole can be used as starting material employed in a synthesis of 1,4′-bipyrazoles and in suzuki reaction. suzuki reaction As a mono substituted pyrozole, 4-Bromopyrazole can be used as Inhibitor of human liver alcohol dehydrogenase and used in mutagenicity study with the L-arabinose resistance test of Salmonella typhimurium.

Technology Process of 4-Bromo-1H-pyrazole

There total 12 articles about 4-Bromo-1H-pyrazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

: 288-13-1
NH-pyrazole

: 2075-45-8
4-bromo-1H-pyrazole

Guidance literature:: With bromine; In dichloromethane; at 0 ℃;
DOI:10.3987/COM-10-11954

Reference yield:

: (S)-flurbiprofenyl 4-bromopyrazolide

: 2075-45-8
4-bromo-1H-pyrazole

: 5104-49-4,51543-38-5,51543-39-6,51543-40-9
(S)-(+)-flurbiprofen

Guidance literature:: With water; sodium hydroxide; at 4 ℃; for 24h;
DOI:10.1016/j.procbio.2011.01.017

Reference yield:

: 288-13-1
NH-pyrazole

: 600-00-0
ethyl 2-bromoisobutyrate

: 2075-45-8
4-bromo-1H-pyrazole

: 1040377-17-0
ethyl 2-(4-bromo-1H-pyrazol-1-yl)-2-methylpropanoate

: ethyl 3-(4-bromo-1H-pyrazol-1-yl)-2-methylpropanoate

Guidance literature:: NH-pyrazole; ethyl 2-bromoisobutyrate; With sodium t-butanolate; In N,N-dimethyl-formamide;

With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;