3-Chloro-5-hydroxybenzonitrile - ≥95% , CAS No.473923-97-6

CAS: 473923-97-6 Cat. No.: C153844 Fórmula: C₇H₄ClNO Peso molecular: 153.57 Número EC: 691-717-3

GRADE & PURITY ≥95%

Synonyms

AC-6904 | BB 0261190 | STL555716 | BBL101919 | EN300-192870 | CL8191 | 3-chloro-5-hydroxybenzonitrile, AldrichCPR | Benzonitrile, 3-chloro-5-hydroxy- | 3-Chloro-5-hydroxybenzonitrile | 3-chloro-5-hydroxy-benzonitrile | A1718 | C2708 | MFCD11226540 | J-512

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AC-6904 | BB 0261190 | STL555716 | BBL101919 | EN300-192870 | CL8191 | 3-chloro-5-hydroxybenzonitrile, AldrichCPR | Benzonitrile, 3-chloro-5-hydroxy- | 3-Chloro-5-hydroxybenzonitrile | 3-chloro-5-hydroxy-benzonitrile | A1718 | C2708 | MFCD11226540 | J-512

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

488199995

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488199995

Sonrisas canónicas

C1=C(C=C(C=C1O)Cl)C#N

IUPAC Name

3-chloro-5-hydroxybenzonitrile

InChIKey

GHYUOOZZOMUNSY-UHFFFAOYSA-N

INCHI

1S/C7H4ClNO/c8-6-1-5(4-9)2-7(10)3-6/h1-3,10H

Isómeros SMILES

C1=C(C=C(C=C1O)Cl)C#N

Peso molecular

153.57

Reaxy-Rn

14085370

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14085370&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

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 170 °C
• Peso molecular: 153.560 g/mol
• XLogP3: 2.700
• 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

Preguntas frecuentes

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.

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 473923-97-6, the molecular formula is C7H4ClNO, and the molecular weight is 153.57 g/mol. InChIKey GHYUOOZZOMUNSY-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.