ácido 3-cloro-2-metoxibenzoico - ≥97% , CAS No.3260-93-3

CAS: 3260-93-3 Cat. No.: C123897 Peso molecular: 186.59 Número EC: 626-273-1

GRADE & PURITY ≥97%

Synonyms

3-Chloro-o-anisic acid | DTXSID40423678 | 3-chloro-2-methoxybenzoicacid | chloro-2-methoxybenzoic acid | 3-Chloro-2-methoxybenzoic acid, 97% | 3-Chloro-2-(methyloxy)benzoic acid | Benzoic acid, 3-chloro-2-methoxy- | J-512196 | MFCD00179306 | EN300-818735

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

3-Chloro-o-anisic acid | DTXSID40423678 | 3-chloro-2-methoxybenzoicacid | chloro-2-methoxybenzoic acid | 3-Chloro-2-methoxybenzoic acid, 97% | 3-Chloro-2-(methyloxy)benzoic acid | Benzoic acid, 3-chloro-2-methoxy- | J-512196 | MFCD00179306 | EN300-818735

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504764129
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764129
• Sonrisas canónicas: COC1=C(C=CC=C1Cl)C(=O)O
• IUPAC Name: 3-chloro-2-methoxybenzoic acid
• InChIKey: NKVUYEGKHRDEBB-UHFFFAOYSA-N
• INCHI: 1S/C8H7ClO3/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4H,1H3,(H,10,11)
• Isómeros SMILES: COC1=C(C=CC=C1Cl)C(=O)O
• WGK Alemania: 3
• Peso molecular: 186.59
• Reaxy-Rn: 2641274
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2641274&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: Heat Sensitive
• Punto de fusión (°C): 118-123°C
• Peso molecular: 186.590 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 186.008 Da
• Monoisotopic Mass: 186.008 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 172.000
• 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