2-Chloro-3,4-dimethoxybenzoic acid - ≥97% , CAS No.52009-53-7

CAS: 52009-53-7 Cat. No.: C170761 Formula: C₉H₉ClO₄ Peso molecolare: 216.62 Numero EC: 626-227-0

GRADE & PURITY ≥97%

Synonyms

J-200138 | Maybridge1_001936 | A828882 | EN300-1968191 | 2-Chloro-3,4-dimethoxybenzoic acid | 2-chloro-3,4-dimethoxy-benzoic acid | 2-Chloro-3,4-dimethoxybenzoic acid, 97% | 2-Chloro-3,4,-dimethoxybenzoic acid | CCG-56505 | HMS546P22 | TS-03091 | MFCD0008

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

J-200138 | Maybridge1_001936 | A828882 | EN300-1968191 | 2-Chloro-3,4-dimethoxybenzoic acid | 2-chloro-3,4-dimethoxy-benzoic acid | 2-Chloro-3,4-dimethoxybenzoic acid, 97% | 2-Chloro-3,4,-dimethoxybenzoic acid | CCG-56505 | HMS546P22 | TS-03091 | MFCD0008

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488193617

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488193617

Sorrisi canonici

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

IUPAC Name

2-chloro-3,4-dimethoxybenzoic acid

InChIKey

YSEIYOHXERRMNN-UHFFFAOYSA-N

INCHI

1S/C9H9ClO4/c1-13-6-4-3-5(9(11)12)7(10)8(6)14-2/h3-4H,1-2H3,(H,11,12)

Isomeri SMILES

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

WGK Germania

3

Peso molecolare

216.62

Reaxy-Rn

2971192

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2971192&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 P-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: P-methoxybenzoic acids and derivatives
• Alternative Parents: M-methoxybenzoic acids and derivatives 2-halobenzoic acids Halobenzoic acids Dimethoxybenzenes Benzoic acids 1-carboxy-2-haloaromatic compounds Phenoxy compounds Anisoles Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Vinylogous halides Monocarboxylic acids and derivatives Organic oxides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Dimethoxybenzene - O-dimethoxybenzene - Benzoic acid - Benzoyl - Phenoxy compound - 1-carboxy-2-haloaromatic compound - Phenol ether - Methoxybenzene - Anisole - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl halide - Aryl chloride - Vinylogous 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
• Descrizione: This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 200-204 °C
• Peso molecolare: 216.620 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 216.019 Da
• Monoisotopic Mass: 216.019 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 209.000
• 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?

This product is supplied at ≥97% 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 52009-53-7, the molecular formula is C9H9ClO4, and the molecular weight is 216.62 g/mol. InChIKey YSEIYOHXERRMNN-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.