5-Phenyl-1H-pyrazole-3-carboxylic acid

Basic Information

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CAS Number

1134-49-2

Molecular Formula

C10H8N2O2

Molecular Weight

188.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

238-242 °C (dec.)

Boiling Point

496.5±33.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Flash Point

254.1±25.4 °C

Refractive Index

1.645

Vapor Pressure

0.0±1.3 mmHg at 25°C

SMILES

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C1=CC=C(C=C1)C2=NNC(=C2)C(=O)O

InChI

InChI=1S/C10H8N2O2/c13-10(14)9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)

InChIKey

QBPUOAJBMXXBNU-UHFFFAOYSA-N

LogP

1.7748999999999997

Topological Polar Surface Area

65.98 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

214

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

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

SMR000124836
AKOS000271465
MLS000067411
J-513035
BRN 0609874
KSC-20-088
SR-01000597145
DTXSID60150398
AB08419
5-Phenyl-1H-pyrazole-3-carboxylic acid, AldrichCPR
3-Phenyl-1H-pyrazole-5-carboxylic acid, 97%
SY004192
1H-Pyrazole-3-carboxylicacid, 5-phenyl-
FT-0678418
5-Phenyl-1H-pyrazole-3-carboxylic acid
EU-0099922
AKOS005485835
5-PHENYL-PYRAZOLE-3-CARBOXYLIC ACID
CHEMBL397785
AKOS000263428
Q27164500
3-phenyl-1H-pyrazole-5-carboxylic acid
EN300-14809
AB01334874-02
F52631
5-Phenyl-1H-pyrazole-3-carboxylicacid
AB00463493-03
1H-Pyrazole-3-carboxylic acid, 5-phenyl-
2-Bromo-2,6-difluoroacetophenone
HMS1648H01
PS-3041

MDL Number

MFCD27977196

Customs Code

2933199090

FAQ

What are the physical and chemical properties of 5-Phenyl-1H-pyrazole-3-carboxylic acid (CAS: 1134-49-2)?

5-Phenyl-1H-pyrazole-3-carboxylic acid (CAS: 1134-49-2) is a crystalline solid with a molecular weight of approximately 182.19 g/mol. It has a pKa of 4.6, indicating acidic properties. The compound is slightly soluble in water but soluble in common organic solvents like ethanol and acetone. It is reactive towards bases and can form salts.

How is 5-Phenyl-1H-pyrazole-3-carboxylic acid (CAS: 1134-49-2) typically synthesized?

5-Phenyl-1H-pyrazole-3-carboxylic acid is typically synthesized via the condensation of phenyl isocyanate and 1,3-dicarbonyl compounds. The reaction is catalyzed by acids and proceeds with good yield. The product can be purified by recrystallization from appropriate solvents.

What industries use 5-Phenyl-1H-pyrazole-3-carboxylic acid (CAS: 1134-49-2)?

5-Phenyl-1H-pyrazole-3-carboxylic acid (CAS: 1134-49-2) is used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the polymer industry for modifying the properties of polymers, in sensor technology for detecting specific analytes, and in semiconductor manufacturing as a component in certain solutions.

What precautions should be taken when handling 5-Phenyl-1H-pyrazole-3-carboxylic acid (CAS: 1134-49-2)?

When handling 5-Phenyl-1H-pyrazole-3-carboxylic acid (CAS: 1134-49-2), wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Use a fume hood to avoid inhalation of vapors. Handle in a well-ventilated area and follow standard laboratory safety protocols. In case of spill, neutralize with an appropriate base and dispose of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed information.