5-hydroxy-2-nitrobenzonitrile - ≥95% , CAS No.13589-74-7

CAS: 13589-74-7 Cat. No.: H181287 Summenformel: C₇H₄N₂O₃ Molekulargewicht: 164.1

GRADE & PURITY ≥95%

Synonyms

5-Hydroxy-2-nitrobenzonitrile|13589-74-7|5-hydroxy-2-nitro-benzonitrile|2-Nitro-5-hydroxy-benzonitrile|3-Cyano-4-nitrophenol|SCHEMBL2658860|DTXSID60448646|IVDZYHBBWXCWGN-UHFFFAOYSA-N|AKOS005208238|AB25572|AC-14737|BS-26472|FT-0692742|EN300-237934|J-517602

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

5-Hydroxy-2-nitrobenzonitrile | 13589-74-7 | 5-hydroxy-2-nitro-benzonitrile | 2-Nitro-5-hydroxy-benzonitrile | 3-Cyano-4-nitrophenol | SCHEMBL2658860 | DTXSID60448646 | IVDZYHBBWXCWGN-UHFFFAOYSA-N | AKOS005208238 | AB25572 | AC-14737 | BS-26472 | FT-0692742 | EN300-237934 | J-517602

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: C1=CC(=C(C=C1O)C#N)[N+](=O)[O-]
• IUPAC Name: 5-hydroxy-2-nitrobenzonitrile
• InChIKey: IVDZYHBBWXCWGN-UHFFFAOYSA-N
• INCHI: 1S/C7H4N2O3/c8-4-5-3-6(10)1-2-7(5)9(11)12/h1-3,10H
• Isomere SMILES: C1=CC(=C(C=C1O)C#N)[N+](=O)[O-]
• Molekulargewicht: 164.1
• Reaxy-Rn: 2721721
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2721721&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Nitrophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: Nitrophenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenols
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds Benzonitriles 1-hydroxy-2-unsubstituted benzenoids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenol - Nitrobenzene - Nitroaromatic compound - Benzonitrile - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - C-nitro compound - Organic nitro compound - Carbonitrile - Nitrile - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Cyanide - Organic salt - Organic cation - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 164.120 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 164.022 Da
• Monoisotopic Mass: 164.022 Da
• Topological Polar Surface Area: 89.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 227.000
• 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

Häufig gestellte Fragen

How is this product shipped?

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

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 13589-74-7, the molecular formula is C7H4N2O3, and the molecular weight is 164.1 g/mol. InChIKey IVDZYHBBWXCWGN-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.