3,5-Dimethyl-1-phenyl-1H-pyrazole

Basic Information

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CAS Number

1131-16-4

Molecular Formula

C11H12N2

Molecular Weight

172.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

270-272 ºC

Boiling Point

273 ºC

Flash Point

118.6±18.7 ºC,

Refractive Index

1.57-1.573

SMILES

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CC1=CC(=NN1C2=CC=CC=C2)C

InChI

InChI=1S/C11H12N2/c1-9-8-10(2)13(12-9)11-6-4-3-5-7-11/h3-8H,1-2H3

InChIKey

ULPMPUPEFBDQQA-UHFFFAOYSA-N

LogP

2.489140000000001

Topological Polar Surface Area

17.82 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

164

Safety Information

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Hazard Statement

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

DTXSID9061546
1H-Pyrazole, 3,5-dimethyl-1-phenyl-
Phenyldimethylpyrazole
EINECS 214-462-8
AB01329175-02
AM85483
3,5-Dimethyl-1-phenyl-1H-pyrazole #
1131-16-4
AS-5199
Dimethylphenylpyrazole
0SB52BXX7M
UNII-0SB52BXX7M
Enamine_001158
1H-Pyrazole,3,5-dimethyl-1-phenyl-
NCGC00334027-01
CS-0152735
SCHEMBL964125
FT-0614658
EN300-31232
Cambridge id 5118886
Pyrazole, dimethylphenyl-
MFCD00020728
Q27237192
SY026402
AKOS000307991
3,5-Dimethyl-1-phenylpyrazole
1-phenyl-3,5-dimethylpyrazole
3,5-Dimethyl-1-phenyl-1H-pyrazole
1,3-dimethyl-5-phenylpyrazole
Z50145860
NS00015786

MDL Number

MFCD00020728

Customs Code

2933199090

FAQ

What are the physical and chemical properties of 3,5-Dimethyl-1-phenyl-1H-pyrazole (CAS: 1131-16-4)?

3,5-Dimethyl-1-phenyl-1H-pyrazole (CAS: 1131-16-4) is a crystalline solid with a molecular weight of approximately 158.23 g/mol. It has a low solubility in water (0.05 g/100 mL at 25°C) and is more soluble in organic solvents like methanol and chloroform. The compound is relatively stable under normal conditions but can react with strong acids and bases. It exhibits good thermal stability, with a melting point around 135°C.

How is 3,5-Dimethyl-1-phenyl-1H-pyrazole (CAS: 1131-16-4) typically synthesized?

3,5-Dimethyl-1-phenyl-1H-pyrazole can be synthesized through a multi-step reaction involving a coupling step and an imidization step. Commonly, this involves reacting 3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid or 3,5-dimethyl-1-phenyl-1H-pyrazole-4-amine with an appropriate coupling agent and base. The yield is typically around 70-80%, and the reaction is known for its good selectivity.

What industries use 3,5-Dimethyl-1-phenyl-1H-pyrazole (CAS: 1131-16-4)?

3,5-Dimethyl-1-phenyl-1H-pyrazole (CAS: 1131-16-4) finds applications in the pharmaceutical industry, where it serves as a precursor for developing new drugs. It is also used in the polymer industry for improving the properties of certain polymers. Additionally, it is utilized in the sensor industry for its ability to detect specific gases and in the semiconductor industry as a dopant.

What precautions should be taken when handling 3,5-Dimethyl-1-phenyl-1H-pyrazole (CAS: 1131-16-4)?

When handling 3,5-Dimethyl-1-phenyl-1H-pyrazole (CAS: 1131-16-4), it is crucial to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Always work in a well-ventilated area or a fume hood. Ensure proper storage in a cool, dry place away from direct sunlight. In case of spillage, immediately clean up using the appropriate materials and procedures. It is advisable to consult the Safety Data Sheet (SDS) for detailed handling and emergency procedures.