5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile

Basic Information

View in Editor

CAS Number

5334-43-0

Molecular Formula

C10H8N4

Molecular Weight

184.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

132-137 °C

Boiling Point

402℃ at 760 mmHg

Density

1.26

Flash Point

402 °C at 760 mmHg

Refractive Index

1.669

SMILES

View in Editor

C1=CC=C(C=C1)N2C(=C(C=N2)C#N)N

InChI

InChI=1S/C10H8N4/c11-6-8-7-13-14(10(8)12)9-4-2-1-3-5-9/h1-5,7H,12H2

InChIKey

MAKQREKUUHPPIS-UHFFFAOYSA-N

LogP

1.90738

Complexity

238

Safety Information

View Safety Information

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 6.1 Class 6.1

Stability

Stable

Synonyms & References

English

DS-2795
5-Amino-4-cyano-1-phenyl pyrazole
1-Phenyl-4-cyano-5-aminopyrazole
W-105746
5-AMINO-1-PHENYLPYRAZOLE-3-CARBONITRILE
NSC 1414
Z55410284
SMR000065990
EINECS 226-253-9
5-amino-1-phenyl-1H-pyrazol-4-yl cyanide
MFCD00020730
SR-01000396951-2
2-ACETYLAMINO-3-(2,4-DIFLUOROPHENYL)ACRYLICACID
AC-29406
UNII-65KX32U6WT
CS-W002125
AMY11953
A7772
SR-01000396951-1
NSC1414
1H-Pyrazole-4-carbonitrile, 5-amino-1-phenyl-
5-Amino-1-phenylpyrazole-4-carbonitrile, 96%
5-Amino-1-phenylpyrazole-4-carbonitrile
5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile #
FT-0620002
EN300-11468
5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile
FS-1119
SY024467
NSC-1414
HMS1399F20

MDL Number

MFCD00020730

Customs Code

2933199090

FAQ

What are the physical and chemical properties of 5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile (CAS: 5334-43-0)?

5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile (CAS: 5334-43-0) is a solid with a crystalline form. Its molecular weight is approximately 228.22 g/mol. This compound is slightly soluble in water and more soluble in organic solvents like ethanol and acetonitrile. Chemically, it is moderately reactive, particularly towards nucleophiles and reducing agents.

How is 5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile (CAS: 5334-43-0) typically synthesized?

5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile is commonly synthesized through a multistep process involving the condensation of an anilide with a nitrile followed by hydrolysis. Common catalysts include acids, and the reaction yields can reach up to 85%. The process is often conducted in organic solvents and requires careful control of temperature and pH to ensure high selectivity.

What industries use 5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile (CAS: 5334-43-0)?

5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile is primarily used in the pharmaceutical industry for the synthesis of drugs. It also has applications in the polymer industry as a monomer for functional polymers. Additionally, it is used in the production of sensors and semiconductors due to its unique electronic properties.

What precautions should be taken when handling 5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile (CAS: 5334-43-0)?

When handling 5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile (CAS: 5334-43-0), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be immediately cleaned up using appropriate spill kits, and the area should be thoroughly rinsed. It is also recommended to refer to the Safety Data Sheet (SDS) for detailed information on handling and disposal.