4-Chloro-1H-pyrazole

Basic Information

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CAS Number

15878-00-9

Molecular Formula

C3H3ClN2

Molecular Weight

102.52 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

75.0 to 79.0 deg-C

Boiling Point

220°C

Flash Point

99 ºC

Refractive Index

1.563

SMILES

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C1=C(C=NN1)Cl

InChI

InChI=1S/C3H3ClN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)

InChIKey

BADSZRMNXWLUKO-UHFFFAOYSA-N

LogP

1.0631

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

PYRAZOLE, 4-CHLORO-
4-Chloro-1H-pyrazole, AldrichCPR
15678-00-9
Q27461808
4 -chloropyrazole
F9994-0495
MFCD00159634
4-chloro pyrazole
SY016263
AKOS000304502
AM20080425
BB 0216542
SCHEMBL44337
4-Chloropyrazole
BRN 0106355
4-Chloro-1H-pyrazole
EN300-51825
C2888
FT-0630034
DTXSID90166523
15878-00-9
1H-Pyrazole, 4-chloro- (9CI)
CS-W002459
AK-968/37166380
5-23-04-00164 (Beilstein Handbook Reference)
JZ6
L-21842
Z275169786
AB04179
1H-Pyrazole, 4-chloro-
AS-15917

MDL Number

MFCD00159634

Customs Code

2933199090

FAQ

What are the physical and chemical properties of 4-Chloro-1H-pyrazole (CAS: 15878-00-9)?

4-Chloro-1H-pyrazole (CAS: 15878-00-9) is a crystalline solid with a molecular weight of approximately 112.57 g/mol. It is slightly soluble in water and has good solubility in organic solvents like ethanol and acetone. It is chemically stable but can react with strong bases and oxidizing agents. This compound is used in various applications due to its chemical versatility.

How is 4-Chloro-1H-pyrazole (CAS: 15878-00-9) typically synthesized?

4-Chloro-1H-pyrazole can be synthesized through a reaction between hydrazine and chloroform, followed by a condensation step. Common catalysts include acetic anhydride. The yield is generally around 70-80%, and the reaction is carried out under mild conditions to ensure high selectivity.

What industries use 4-Chloro-1H-pyrazole (CAS: 15878-00-9)?

4-Chloro-1H-pyrazole (CAS: 15878-00-9) is used in the pharmaceutical industry for the synthesis of drugs, in polymer chemistry for the development of new materials, and in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 4-Chloro-1H-pyrazole (CAS: 15878-00-9)?

When handling 4-Chloro-1H-pyrazole (CAS: 15878-00-9), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to avoid inhalation. In case of a spill, neutralize the area with a suitable neutralizing agent and clean it up carefully. Always consult the Safety Data Sheet (SDS) for detailed safety information.