3-Chloro-4-hydroxybenzaldehyde - ≥97%(GC) , CAS No.2420-16-8

CAS: 2420-16-8 Cat. No.: C133077 Formula: C₇H₅ClO₂ Peso molecolare: 156.57 Beilstein Registry Number: 8(4)296 Numero EC: 607-340-4

GRADE & PURITY ≥97%(GC)

Synonyms

AM20060567 | SY009040 | FT-0615405 | SCHEMBL115626 | NCIOpen2_001178 | 3-Chloro-4-hydroxybenzaldehyde, 97% | BB 0217651 | J-015394 | 3-Chloro-4-hydroxy benzaldehyde | InChI=1/C7H5ClO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H | VGSOCYWCRMXQAB-UHFFFAOYSA- | NCGC003

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

AM20060567 | SY009040 | FT-0615405 | SCHEMBL115626 | NCIOpen2_001178 | 3-Chloro-4-hydroxybenzaldehyde, 97% | BB 0217651 | J-015394 | 3-Chloro-4-hydroxy benzaldehyde | InChI=1/C7H5ClO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H | VGSOCYWCRMXQAB-UHFFFAOYSA- | NCGC003

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥97%(GC)

Nomi e identificatori

• Pubchem Sid: 488182329
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182329
• Sorrisi canonici: C1=CC(=C(C=C1C=O)Cl)O
• IUPAC Name: 3-chloro-4-hydroxybenzaldehyde
• InChIKey: VGSOCYWCRMXQAB-UHFFFAOYSA-N
• INCHI: 1S/C7H5ClO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H
• Isomeri SMILES: C1=CC(=C(C=C1C=O)Cl)O
• WGK Germania: 3
• Peso molecolare: 156.57
• Beilstein: 8(4)296
• Reaxy-Rn: 1930336
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1930336&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes
            • Level7 Benzaldehydes
              • Level8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes - Aryl-aldehydes - Benzaldehydes
• Direct Parent: Hydroxybenzaldehydes
• Alternative Parents: O-chlorophenols Benzoyl derivatives Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Benzoyl - 2-halophenol - 2-chlorophenol - Phenol - Halobenzene - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group.
• 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

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive
• Punto di ebollizione (°C): 150 °C/14 mmHg
• Punto di fusione (°C): 128.0~137.0 °C
• Peso molecolare: 156.560 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 155.998 Da
• Monoisotopic Mass: 155.998 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 127.000
• 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, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 2420-16-8, the molecular formula is C7H5ClO2, and the molecular weight is 156.57 g/mol. InChIKey VGSOCYWCRMXQAB-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.