2-Phenylimidazole - ≥98% , CAS No.670-96-2

CAS: 670-96-2 Cat. No.: P124054 Formula: C₉H₈N₂ Peso molecolare: 144.18 Beilstein Registry Number: 114011 Numero EC: 211-581-7

GRADE & PURITY ≥98%

Synonyms

MFCD00005186 | PIY | PhI, 2-Phenyl-1H-imidazole | SB12467 | AI3-50034 | 2-Phenylimidazole | 2-phenyl-imidazole | BBL012170 | STK949036 | 2-Phenyl-1H-imidazole | CUREZOL 2PZ | EINECS 211-581-7 | A929223 | FT-0613337 | NSC 255226 | W-104731 | InChI=1/C9H8N2

Storage

Room temperature

Shipped In

Normal

Panoramica

2-Phenylimidazole was used to prepare complex compounds with ruthenium(III).

Specifications

Sinonimi

MFCD00005186 | PIY | PhI, 2-Phenyl-1H-imidazole | SB12467 | AI3-50034 | 2-Phenylimidazole | 2-phenyl-imidazole | BBL012170 | STK949036 | 2-Phenyl-1H-imidazole | CUREZOL 2PZ | EINECS 211-581-7 | A929223 | FT-0613337 | NSC 255226 | W-104731 | InChI=1/C9H8N2

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488184365

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184365

Sorrisi canonici

C1=CC=C(C=C1)C2=NC=CN2

IUPAC Name

2-phenyl-1H-imidazole

InChIKey

ZCUJYXPAKHMBAZ-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

C1=CC=C(C=C1)C2=NC=CN2

WGK Germania

3

Peso molecolare

144.18

Beilstein

114011

Reaxy-Rn

114011

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114011&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylimidazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

ADK Tchem Adenosine kinase (1481 Activities)

Discover Target: ADK

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MTOR Tclin Serine/threonine-protein kinase mTOR (13850 Activities)

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NISCH Tclin Nischarin (304 Activities)

Discover Target: NISCH

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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Obiettivi associati (non umani)

Nos2 Nitric oxide synthase, inducible (3573 Activities)

Discover Target: Nos2

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Aspergillus niger (16508 Activities)

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Bacillus subtilis (32866 Activities)

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Plasmodium falciparum (966862 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solubility in methanol (almost transparency)
• Punto di infiammabilità (°F): 200℃(392°F)
• Punto di infiammabilità (°C): 200℃(392°F)
• Punto di ebollizione (°C): 340°C
• Punto di fusione (°C): 146-150°C
• Peso molecolare: 144.170 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 144.069 Da
• Monoisotopic Mass: 144.069 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 670-96-2, the molecular formula is C9H8N2, and the molecular weight is 144.18 g/mol. InChIKey ZCUJYXPAKHMBAZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.