4-(1H-Pyrazol-4-yl)benzoic acid

Basic Information

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CAS Number

1017794-47-6

Molecular Formula

C10H8N2O2

Molecular Weight

188.19 g/mol

Basic Physical Properties

SMILES

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C1=CC(=CC=C1C2=CNN=C2)C(=O)O

InChI

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

InChIKey

ZGICHEMKLPXWPZ-UHFFFAOYSA-N

LogP

1.7748999999999997

Topological Polar Surface Area

65.97999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

212

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

4-(1H-Pyrazol-4-yl)benzoic acid
2-(methylthio)-4-(1H-pyrazol-3-yl)pyrimidine
2-(methylthio)-4-(1H-pyrazol-5-yl)pyrimidine
4-(1H-pyrazol-3-yl)-2-(methylthio)pyrimidine
AKOS BAR-1968
4-(4-Pyrazolyl)benzoic Acid
4-pyrazol-4-ylbenzoic acid
ZGICHEMKLPXWPZ-UHFFFAOYSA-N
4-(4-Carboxyphenyl)-1H-pyrazole
4-(1H-Pyrazole-4-yl)benzoic acid
SBB052723
Benzoicacid,4-(1H-pyrazol-4-yl)-
7455AC
Benzoic acid, 4-(1H-pyrazol-4-yl)-
SY235435
AK213408
4-(1H-pyrazol-4-yl)benzoic acid
SCHEMBL17442798
F11759
1017794-47-6
TS-02646
A925672
DTXSID301304674
YSWG229
Z959167638
AKOS004117130
4-(1H-Pyrazol-4-yl)benzoicacid
EN300-61043
MFCD06803014
DB-348506
CS-0110730

MDL Number

MFCD06803014

Customs Code

2933199090

FAQ

What is 4-(1H-Pyrazol-4-yl)benzoic acid (CAS: 1017794-47-6)?

4-(1H-Pyrazol-4-yl)benzoic acid (CAS: 1017794-47-6) is an organic compound with the molecular formula C10H7N2O3. It is a white solid with a pungent odor. It is used in pharmaceuticals, particularly as an intermediate in the synthesis of drugs and in research applications.

What are the main uses of 4-(1H-Pyrazol-4-yl)benzoic acid (CAS: 1017794-47-6)?

4-(1H-Pyrazol-4-yl)benzoic acid (CAS: 1017794-47-6) is primarily used as an intermediate in the pharmaceutical industry for the synthesis of various drugs. It is also used in research for medicinal chemistry and materials science.

Is 4-(1H-Pyrazol-4-yl)benzoic acid (CAS: 1017794-47-6) safe?

4-(1H-Pyrazol-4-yl)benzoic acid (CAS: 1017794-47-6) is generally considered safe when handled with appropriate precautions. It is important to follow standard safety protocols, including wearing appropriate personal protective equipment (PPE) and ensuring proper ventilation during handling. Avoid contact with skin and eyes, and dispose of waste materials in a responsible manner.

How should 4-(1H-Pyrazol-4-yl)benzoic acid (CAS: 1017794-47-6) be stored?

4-(1H-Pyrazol-4-yl)benzoic acid (CAS: 1017794-47-6) should be stored in a tightly sealed container in a cool, dry place away from direct sunlight and heat sources. It should be kept at a temperature not exceeding 25°C. Avoid exposure to moisture and maintain a relative humidity below 60%. Store the compound in a secure, well-ventilated area and ensure it is out of reach of children and unauthorized personnel.