GRADE & PURITY ≥97%

Synonyms

AC-22658 | CCG-302550 | MFCD01646165 | SY022909 | AKOS005255027 | J-508939 | SCHEMBL2336330 | PB19932 | AM61697 | BBL100677 | DTXSID40402948 | Z992258522 | STL554471 | CL8890 | 3-CHLORO-2-CYANOPHENOL | Benzonitrile, 2-chloro-6-hydroxy- | 2-chloro-6-hydrox

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AC-22658 | CCG-302550 | MFCD01646165 | SY022909 | AKOS005255027 | J-508939 | SCHEMBL2336330 | PB19932 | AM61697 | BBL100677 | DTXSID40402948 | Z992258522 | STL554471 | CL8890 | 3-CHLORO-2-CYANOPHENOL | Benzonitrile, 2-chloro-6-hydroxy- | 2-chloro-6-hydrox

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C(=C1)Cl)C#N)O
• IUPAC Name: 2-chloro-6-hydroxybenzonitrile
• InChIKey: QAZAWPCTVDEZCT-UHFFFAOYSA-N
• INCHI: 1S/C7H4ClNO/c8-6-2-1-3-7(10)5(6)4-9/h1-3,10H
• Isómeros SMILES: C1=CC(=C(C(=C1)Cl)C#N)O
• Peso molecular: 153.57
• Reaxy-Rn: 2639229
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2639229&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzonitriles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: M-chlorophenols Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Nitriles Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzonitrile - 3-halophenol - 3-chlorophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Phenol - Halobenzene - Aryl chloride - Aryl halide - Carbonitrile - Nitrile - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• 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

Propiedades químicas y físicas

• Peso molecular: 153.560 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 152.998 Da
• Monoisotopic Mass: 152.998 Da
• Topological Polar Surface Area: 44.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 162.000
• 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