5-Chlorovanillic acid - ≥97% , CAS No.62936-23-6

CAS: 62936-23-6 Cat. No.: C139113 Fórmula: C₈H₇ClO₄ Peso molecular: 202.59 Número CE: 263-766-7

GRADE & PURITY ≥97%

Synonyms

3-chloro-4-hydroxy-5-methoxy Benzoic acid | EN300-14822 | FS-4144 | AC-28568 | 3-CHLORO-4-HYDROXY-5-METHOXYBENZOIC ACID | NSC45930 | NSC-45930 | EINECS 263-766-7 | 5-Chlorovanilic acid; 5-Chloro-4-hydroxy-3-methoxybenzoic acid | A868309 | SY106386 | SCHEM

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

3-chloro-4-hydroxy-5-methoxy Benzoic acid | EN300-14822 | FS-4144 | AC-28568 | 3-CHLORO-4-HYDROXY-5-METHOXYBENZOIC ACID | NSC45930 | NSC-45930 | EINECS 263-766-7 | 5-Chlorovanilic acid; 5-Chloro-4-hydroxy-3-methoxybenzoic acid | A868309 | SY106386 | SCHEM

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged,Desiccated

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

COC1=C(C(=CC(=C1)C(=O)O)Cl)O

IUPAC Name

3-chloro-4-hydroxy-5-methoxybenzoic acid

InChIKey

XBRYEHVBBMSSCG-UHFFFAOYSA-N

INCHI

1S/C8H7ClO4/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,10H,1H3,(H,11,12)

SMILES isoméricas

COC1=C(C(=CC(=C1)C(=O)O)Cl)O

Peso molecular

202.59

Reaxy-Rn

2648897

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2648897&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Methoxybenzoic acids and derivatives
          • Level6 M-methoxybenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Methoxybenzoic acids and derivatives
• Direct Parent: M-methoxybenzoic acids and derivatives
• Alternative Parents: 3-halobenzoic acids Methoxyphenols Hydroxybenzoic acid derivatives Halobenzoic acids Benzoic acids Phenoxy compounds O-chlorophenols Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-methoxybenzoic acid or derivatives - Hydroxybenzoic acid - Methoxyphenol - 3-halobenzoic acid or derivatives - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - Benzoic acid - 2-halophenol - Phenoxy compound - Anisole - 2-chlorophenol - Benzoyl - Phenol ether - Methoxybenzene - Halobenzene - Chlorobenzene - Phenol - Alkyl aryl ether - Aryl chloride - Aryl halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Organohalogen compound - Organochloride - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy 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

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive
• Peso molecular: 202.590 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 202.003 Da
• Monoisotopic Mass: 202.003 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 197.000
• 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

Perguntas frequentes

What does technical grade mean?

technical grade indicates that the material has been processed and tested for specialty industrial processing. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.