5-AMINO-1-PHENYLPYRAZOLE-4-CARBONITRILE

Product Name: 5-AMINO-1-PHENYLPYRAZOLE-4-CARBONITRILE
CAS No.: 5334-43-0
Chemical Name: 5-AMINO-1-PHENYLPYRAZOLE-4-CARBONITRILE
Synonyms: MB-3670;AKOS B018556;AKOS UB-20252;AKOS BBS-00000722;BUTTPARK 51\09-65;TIMTEC-BB SBB005515;ART-CHEM-BB B018556;1-PHENYL-4-CYANO-5-AMINOPYRAZOLE;5-AMINO-4-CYANO-1-PHENYLPYRAZOLE;3-Amino-4-cyano-1-phenylpyrazole
CBNumber: CB9777187
Molecular Formula: C10H8N4
Formula Weight: 184.2
MOL File: 5334-43-0.mol

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5-AMINO-1-PHENYLPYRAZOLE-4-CARBONITRILE Property

Melting point:: 132-137 °C (lit.)
Boiling point:: 402.0±30.0 °C(Predicted)
Density: 1.26±0.1 g/cm3(Predicted)
storage temp.: under inert gas (nitrogen or Argon) at 2–8 °C
solubility: DMSO (Slightly), Methanol (Slightly)
pka: -1.12±0.10(Predicted)
form: Solid
color: Pale Yellow to Dark Yellow
BRN: 161503
Stability:: Stable
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
SMILES: Nc1c(cnn1-c2ccccc2)C#N
CAS DataBase Reference: 5334-43-0(CAS DataBase Reference)
NIST Chemistry Reference: 5-Amino-4-cyano-1-phenyl pyrazole(5334-43-0)

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Safety

Hazard Codes: Xn,Xi
Risk Statements: 20/21/22-36/37/38
Safety Statements: 26-36
RIDADR: 3276
WGK Germany: 3
Hazard Note: Irritant
HazardClass: 6.1
PackingGroup: III
HS Code: 29331990
Storage Class: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 389595
Product name: 5-Amino-1-phenylpyrazole-4-carbonitrile
Purity: 96%
Packaging: 1g
Price: $38.9
Updated: 2023/06/20

TRC

Product number: A626250
Product name: 5-Amino-1-phenylpyrazolo-4-carbonitrile
Packaging: 5g
Price: $110
Updated: 2021/12/16

Usbiological

Product number: 258489
Product name: 5-Amino-1-phenylpyrazolo-4-carbonitrile
Packaging: 1g
Price: $350
Updated: 2021/12/16

Usbiological

Product number: A1379-88B
Product name: 5-Amino-1-phenylpyrazolo-4-carbonitrile
Packaging: 5g
Price: $403
Updated: 2021/12/16

TRC

Product number: A626250
Product name: 5-Amino-1-phenylpyrazolo-4-carbonitrile
Packaging: 50g
Price: $875
Updated: 2021/12/16

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5-AMINO-1-PHENYLPYRAZOLE-4-CARBONITRILE Chemical Properties,Usage,Production

Chemical Properties

Off-White Powder

Uses

Shown to have chemiluminescence activity, antifilarial activity and to possess adenosine receptor affinity.

Definition

ChEBI: 5-amino-1-phenyl-1H-pyrazole-4-carbonitrile is a member of pyrazoles and a ring assembly.

Synthesis

100-63-0

123-06-8

5334-43-0

3.2 Synthesis of 5-amino-4-cyano-1-phenyl-1H-pyrazole (3a) Phenylhydrazine (2d) (0.45 mL, 4.2 mmol) was dissolved in ethanol (4 mL) with ethoxymethylene malononitrile (1b) (0.51 g, 4.2 mmol). Microwave irradiation was carried out using a CEM Discover microwave synthesizer at 120 °C for 45 min in a sealed pressure rated Pyrex tube (10 mL) with an initial power setting of 100 W. The reaction was carried out in a compressed air chamber with the microwave irradiated at 120 °C for 1 min. Upon completion of the reaction, the solvent was cooled in a stream of compressed air and subsequently removed by decompression distillation. The product was purified by silica gel column chromatography with petroleum ether/ethyl acetate (5:1 v/v) as eluent to afford 1-phenyl-4-cyano-5-aminopyrazole (0.738 g, 95% yield) as a light brown solid with a melting point of 137-139 °C (literature value: 137 °C). High-resolution mass spectrum (measured value: 185.0827, C10H9N4 [MH]+ calculated value: 185.0822); Fourier transform infrared spectra (KBr, cm1) νmax: 3302 (NH), 3240 (NH), 2230 (CN), 1577, 1530, 1368; 1H NMR (400 MHz, CDCl3) δ: 7.58 (1H, s, H-3), 7.49-7.37 (5H, m, Ph), 4.52 (2H, br s, disappears after exchange of D2O, NH2); 13C NMR (100 MHz, CDCl3) δ: 141.9 (CH), 135.0 (C), 129.3 (CH), 125.5 (CH), 124.1 ( CH), 121.3 (CH), 115.6 (C), 86.2 (C); low resolution mass spectra (APcI) m/z (relative intensity): 226 ([M + MeCNH]+, 100), 185 ([MH]+, 64).

References

[1] Tetrahedron, 2013, vol. 69, # 39, p. 8429 - 8438
[2] Phosphorus, Sulfur and Silicon and the Related Elements, 2006, vol. 181, # 3, p. 591 - 599
[3] European Journal of Organic Chemistry, 2018, vol. 2018, # 13, p. 1514 - 1524
[4] Synthetic Communications, 2011, vol. 41, # 10, p. 1500 - 1507
[5] Heterocyclic Communications, 2005, vol. 11, # 5, p. 385 - 388

5-AMINO-1-PHENYLPYRAZOLE-4-CARBONITRILE Preparation Products And Raw materials

Raw materials

Malononitrile Ethanol Triethyl orthoformate Phenylhydrazine

Preparation Products

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5-AMINO-1-PHENYLPYRAZOLE-4-CARBONITRILE Suppliers

Canada 1 China 104 France 1 Germany 4 India 3 Japan 1 Russia 1 Switzerland 1 The Netherlands 1 Ukraine 2 United Kingdom 14 United States 33 Global 166

J & K SCIENTIFIC LTD.

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5334-43-0, 5-AMINO-1-PHENYLPYRAZOLE-4-CARBONITRILERelated Search:

1H-Pyrazole-4-carbonitrile, 5-amino-1-phenyl-

TIMTEC-BB SBB005515

AKOS UB-20252

AKOS BBS-00000722

AKOS B018556

5-AMINO-1-PHENYL-1H-PYRAZOLE-4-CARBONITRILE

5-AMINO-1-PHENYLPYRAZOLE-4-CARBONITRILE

5-AMINO-1-PHENYLPYRAZOLO-4-CARBONITRILE

5-AMINO-4-CYANO-1-PHENYLPYRAZOLE

1-PHENYL-4-CYANO-5-AMINOPYRAZOLE

ART-CHEM-BB B018556

BUTTPARK 51\09-65

MB-3670

5-Amino-1-phenylpyrazole-4-carbonitrile ,98%

5-Amino-1-phenylpyrazole-3-carbonitrile

3-Amino-4-cyano-1-phenylpyrazole

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

5-amino-1-phenyl-1H-pyrazole-3-carbonitrile

5-Amino-1-phenyl-4-pyrazolecarbonitrile

5-amino-1-phenylpyrazol-4-nitrile

5334-43-0

ARYL ISOCYANATE

Pyrazoles

Nucleotides and Nucleosides

Bases & Related Reagents

Nucleotides

Building Blocks

Heterocyclic Building Blocks

Pyrazoles

Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines

Heterocyclic Compounds