4-Amino-5-chloro-o-anisic Acid - ≥98%(HPLC) , CAS No.7206-70-4

CAS: 7206-70-4 Cat. No.: A151461 Peso molecular: 201.61 Número EC: 230-582-3

GRADE & PURITY ≥98%(HPLC)

Synonyms

5-CHLORO-4-AMINO-2-ETHOXYBENZOIC ACID | AKOS000120088 | EINECS 230-582-3 | DTXSID50222391 | Maybridge1_004509 | MetocloprCmide EP Impurity C | Z104478804 | 4-amino-5-chloro-2-methoxylbenzoic acid | EN300-20545 | J-514394 | PD013684 | 5-Chloro-4-amino-2-me

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

5-CHLORO-4-AMINO-2-ETHOXYBENZOIC ACID | AKOS000120088 | EINECS 230-582-3 | DTXSID50222391 | Maybridge1_004509 | MetocloprCmide EP Impurity C | Z104478804 | 4-amino-5-chloro-2-methoxylbenzoic acid | EN300-20545 | J-514394 | PD013684 | 5-Chloro-4-amino-2-me

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488185988
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185988
• Sonrisas canónicas: COC1=CC(=C(C=C1C(=O)O)Cl)N
• IUPAC Name: 4-amino-5-chloro-2-methoxybenzoic acid
• InChIKey: RVEATKYEARPWRE-UHFFFAOYSA-N
• INCHI: 1S/C8H8ClNO3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,10H2,1H3,(H,11,12)
• Isómeros SMILES: COC1=CC(=C(C=C1C(=O)O)Cl)N
• WGK Alemania: 3
• Peso molecular: 201.61
• Reaxy-Rn: 1874379
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1874379&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: 3-halobenzoic acids Aminobenzoic acids Halobenzoic acids Aminophenyl ethers Benzoic acids Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds Primary amines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-methoxybenzoic acid or derivatives - Aminobenzoic acid - Aminobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Aminophenyl ether - Benzoic acid - Methoxyaniline - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Amino acid - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Amine - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Primary amine - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - 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

• Punto de fusión (°C): 205-208°C
• Peso molecular: 201.610 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 201.019 Da
• Monoisotopic Mass: 201.019 Da
• Topological Polar Surface Area: 72.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 200.000
• 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