3-Bromo-1H-pyrazole

Basic Information

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CAS Number

14521-80-3

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

Melting Point

60-65 °C

Flash Point

113.5℃

SMILES

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C1=C(NN=C1)Br

InChI

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

InChIKey

XHZWFUVEKDDQPF-UHFFFAOYSA-N

LogP

1.1721999999999997

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

48.1

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Synonyms & References

English

A910465
W-204944
CS-D0856
3-Bromopyrazole, 97%
AC-907/30002001
3-bromo-1H-pyrazole
3-BROMO-2H-PYRAZOLE
AM20080342
XHZWFUVEKDDQPF-UHFFFAOYSA-N
AB68518
AC-3226
1174132-74-1
1H-Pyrazole, 3-bromo-
J-512131
5-bromopyrazole
5-Bromo-1H-pyrazole
TS-01911
BCP00001
3-Bromopyrazole
14521-80-3
MFCD01646049
3-Bromo-pyrazole
DTXSID60360899
SCHEMBL11527
BP-21207
FT-0646915
AKOS005068311
EN300-86403
AKOS002658320
bromopyrazole
SY004896

MDL Number

MFCD01646049

Customs Code

2933199090

FAQ

What is 3-Bromo-1H-pyrazole (CAS: 14521-80-3)?

3-Bromo-1H-pyrazole is an organic compound with the chemical formula C3H3BrN2. It is a pyrazole derivative containing a bromine atom. This compound is known for its aromatic character and is used in various synthetic chemical processes.

What are the main uses of 3-Bromo-1H-pyrazole (CAS: 14521-80-3)?

3-Bromo-1H-pyrazole is primarily used in the synthesis of other organic compounds, particularly in pharmaceuticals and agrochemicals. It serves as a key intermediate in the development of new drugs and pesticides.

Is 3-Bromo-1H-pyrazole (CAS: 14521-80-3) safe?

3-Bromo-1H-pyrazole is generally considered safe, but it is toxic if ingested or inhaled. Appropriate handling and protective equipment, such as gloves and goggles, are necessary. It should be stored in a well-ventilated area away from heat sources.

How should 3-Bromo-1H-pyrazole (CAS: 14521-80-3) be stored?

3-Bromo-1H-pyrazole should be stored in a cool, dry place away from direct sunlight and heat sources. Keep it in a tightly sealed container to maintain its stability. Avoid contact with water and other reactive materials.