3-Phenyl-1H-pyrazole

Basic Information

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CAS Number

2458-26-6

Molecular Formula

C9H8N2

Molecular Weight

144.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

75.0 to 79.0 deg-C

Boiling Point

314°C

Flash Point

163.8℃

Refractive Index

1.5960 (estimate)

SMILES

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C1=CC=C(C=C1)C2=CC=NN2

InChI

InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H,(H,10,11)

InChIKey

OEDUIFSDODUDRK-UHFFFAOYSA-N

LogP

2.0766999999999998

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

119

Safety Information

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GHS Hazard Pictograms

H302

H312

H315

H319

H332

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

J-800161
1H-Pyrazole, 3-phenyl-
BDBM50078831
DTXSID40179320
EN300-62492
AC-23138
BB 0237722
3-Phenylpyrazole
CL3440
AKOS000313117
P2063
SY009071
5-phenylpyrazole
2458-26-6
HY-W002461
AB01205810-03
J-513034
phenylpyrazole
AS-5622
Q63398285
NCGC00331164-01
MFCD00159654
3-Phenyl-1H-pyrazole
AKOS000345348
F1667-0020
3-Phenyl-1H-pyrazole #
3(5)-phenylpyrazole
CHEMBL38876
FT-0616352
3-Phenyl pyrazole
BCP25611

MDL Number

MFCD00159654

Customs Code

2933199090

FAQ

What regulatory guidelines apply to 3-Phenyl-1H-pyrazole (CAS: 2458-26-6)?

3-Phenyl-1H-pyrazole (CAS: 2458-26-6) falls under the classification of organic compounds in the Globally Harmonized System of Classification and Labelling of Chemicals (GHS). It may require specific handling and storage under REACH regulations in the European Union. In the U.S., the Environmental Protection Agency (EPA) and Food and Drug Administration (FDA) have specific guidelines for its use in chemical manufacturing and pharmaceutical applications.

Are there alternatives to 3-Phenyl-1H-pyrazole (CAS: 2458-26-6) in synthesis?

While 3-Phenyl-1H-pyrazole (CAS: 2458-26-6) is a versatile compound, its alternatives include other pyrazoles such as 2-Phenyl-1H-pyrazole and other aromatic compounds like 1H-pyrazole. These can be used as substitutes depending on the specific synthesis requirements and desired properties.

What is the market or research trend for 3-Phenyl-1H-pyrazole (CAS: 2458-26-6)?

The market for 3-Phenyl-1H-pyrazole (CAS: 2458-26-6) is driven by its applications in pharmaceuticals and agrochemicals due to its antimicrobial and antifungal properties. Research trends are focusing on its potential as a drug candidate and as a component in novel pesticides. Additionally, there is growing interest in its use as a precursor in organic synthesis.

How should waste containing 3-Phenyl-1H-pyrazole (CAS: 2458-26-6) be handled?

Waste containing 3-Phenyl-1H-pyrazole (CAS: 2458-26-6) should be collected in appropriate containers, labeled, and stored away from ignition sources and incompatible materials. Proper incineration or professional waste disposal services should be used to ensure its safe disposal. Environmental protection measures, such as neutralization if necessary, should be followed to prevent contamination of soil and water sources.