4-Bromo-1H-pyrazole

Basic Information

View in Editor

CAS Number

2075-45-8

Molecular Formula

C3H3BrN2

Molecular Weight

146.98 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

93-96 °C

Boiling Point

250-260 °C

Water Solubility

Slightly soluble in water.

Flash Point

108℃

Refractive Index

1.5260 (estimate)

SMILES

View in Editor

C1=C(C=NN1)Br

InChI

InChI=1S/C3H3BrN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)

InChIKey

WVGCPEDBFHEHEZ-UHFFFAOYSA-N

LogP

1.1722

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

48.1

Safety Information

View Safety Information

GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-Bromopyrazole
AB02892
4-Bromo-1H-pyrazole
PYRAZOLE, 4-BROMO-
SY002635
J-013590
Z275169750
4-bromo-pyrazole
FT-0601793
AS-5543
1H-Pyrazole, 4-bromo-
AC-2709
CS-W009265
NSC 522023
AM20090168
AC-907/25014004
EN300-50991
4-bromo pyrazole
Q27458577
5-23-04-00172 (Beilstein Handbook Reference)
JCB5VB9RTA
A4505
HY-78243
NSC522023
AMY12221
FT-0663871
DTXSID50174826
SCHEMBL10169
4-Bromopyrazole, 99%
BRN 0106510
4-Brompyrazole

MDL Number

MFCD00075602

Customs Code

2933199090

FAQ

What is 4-Bromo-1H-pyrazole (CAS: 2075-45-8)?

4-Bromo-1H-pyrazole (CAS: 2075-45-8) is a brominated pyrazole derivative with the chemical formula C3H4N2Br. It appears as a white crystalline solid and is known for its stability under normal conditions. This compound exhibits characteristic reactivity due to the bromine substituent, making it a valuable intermediate in organic synthesis.

What are the main uses of 4-Bromo-1H-pyrazole (CAS: 2075-45-8)?

4-Bromo-1H-pyrazole (CAS: 2075-45-8) is primarily used as a pharmaceutical intermediate in the development of drugs targeting neurological and metabolic disorders. It also finds applications in agrochemicals, dyes, and research for synthetic organic compounds. Its versatility stems from the bromine group, which facilitates further chemical modifications.

Is 4-Bromo-1H-pyrazole (CAS: 2075-45-8) safe?

4-Bromo-1H-pyrazole (CAS: 2075-45-8) requires careful handling due to potential toxicity. It is classified as a hazardous chemical, necessitating protective measures like gloves, goggles, and proper ventilation. Safety standards advise adherence to OSHA and EPA guidelines, and it should be used in controlled environments with access to safety data sheets (SDS).

How should 4-Bromo-1H-pyrazole (CAS: 2075-45-8) be stored?

4-Bromo-1H-pyrazole (CAS: 2075-45-8) should be stored in a cool, dry, and dark place, preferably at 25°C. Keep in a sealed container to prevent moisture exposure and maintain stability. Avoid contact with incompatible substances and ensure proper ventilation. Storage in a well-ventilated chemical storage area is recommended for long-term safety.