4-Bromopyrazole

Names

[ CAS No. ]:
2075-45-8

[ Name ]:
4-Bromopyrazole

[Synonym ]:
4-bromopyrazol
4-Bromopyrazole
T5MNJ DE
1H-Pyrazole,4-bromo
4-Bromo-1H-pyrazole
1H-Pyrazole, 4-bromo-
4-bromo-pyrazole
MFCD00075602
4-bromoimidazole
4,Br-pyrazole
4-Brompyrazole
PYRAZOLE,4-BROMO

Biological Activity

[Description]:

4-Bromopyrazole is a biochemical reagent that can be used as a biological material or organic compound for life science related research.

[Related Catalog]:

Research Areas >> Others

Chemical & Physical Properties

[ Density]:
1.9±0.1 g/cm3

[ Boiling Point ]:
255.0±0.0 °C at 760 mmHg

[ Melting Point ]:
93-96 °C(lit.)

[ Molecular Formula ]:
C₃H₃BrN₂

[ Molecular Weight ]:
146.97

[ Flash Point ]:
108.0±19.8 °C

[ Exact Mass ]:
145.947952

[ PSA ]:
28.68000

[ LogP ]:
1.44

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.602

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UQ6200000

CHEMICAL NAME :: Pyrazole, 4-bromo-

CAS REGISTRY NUMBER :: 2075-45-8

BEILSTEIN REFERENCE NO. :: 0106510

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C3-H3-Br-N2

MOLECULAR WEIGHT :: 146.99

WISWESSER LINE NOTATION :: T5MNJ DE

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 367 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 500 ug/plate

REFERENCE :: ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 8,611,1986

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
UQ6200000

[ HS Code ]:
2933199090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2933199090

[ Summary ]:
2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

A general, practical palladium-catalyzed cyanation of (hetero)aryl chlorides and bromides.

Angew. Chem. Int. Ed. Engl. 52(38) , 10035-9, (2013)

Playing it safe: The nontoxic cyanide source K4 [Fe(CN)6]·3H2O can be used for the cyanation of (hetero)aryl halides. The application of palladacycle catalysts prevents poisoning during catalyst forma...

Structural Diversity in the Reaction of Mono- and Disubstituted Pyrazoles with Titanium Tetrachloride. Importance of Hydrogen Bonding and Trends in cis/trans Geometry of Binary Adducts with Unidentate Ligands.

Inorg. Chem. 36(20) , 4415-4420, (1997)

Treatment of titanium tetrachloride with 3,5-di-tert-butylpyrazole affords the complexes [3,5-(C(CH(3))(3))(2)C(3)H(3)N(2)](2)[TiCl(6)] and (3,5-(C(CH(3))(3))(2)C(3)HN(2))(2)TiCl(2) in 37 and 42% yiel...

Palladium(II) complexes of pyrazolated thio/selenoethers: syntheses, structures, single source precursors of Pd4Se and PdSe nano-particles and potential for catalyzing Suzuki-Miyaura coupling.

Dalton Trans. 42(11) , 3908-18, (2013)

The reactions of 4-bromo-1-(2-chloroethyl)-1H-pyrazole prepared from 4-bromopyrazole with the in situ generated PhSNa, PhSeNa, Na(2)S and Na(2)Se have resulted in thio/selenoether ligands L1-L4 respec...