5-Chloro-2-methoxyaniline - ≥98%(GC) , CAS No.95-03-4

CAS: 95-03-4 Cat. No.: C153904 Peso molecular: 157.6 Número EC: 202-385-2

GRADE & PURITY ≥98%(GC)

Synonyms

AI3-01933 | C.I. 37120 (free base) (VAN) | o-Anisidine, 5-chloro- | VC5QZR6YNJ | 5-Chloro-2-methoxybenzenamine | p-CHLORO-o-AMINOANISOLE | STR03862 | DTXSID0059116 | MFCD00007777 | 5-Chloro-o-anisidine | Benzenamine, 5-chloro-2-methoxy- | EN300-16793 | PS

Storage

Room temperature

Shipped In

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Specifications

Sinónimos

AI3-01933 | C.I. 37120 (free base) (VAN) | o-Anisidine, 5-chloro- | VC5QZR6YNJ | 5-Chloro-2-methoxybenzenamine | p-CHLORO-o-AMINOANISOLE | STR03862 | DTXSID0059116 | MFCD00007777 | 5-Chloro-o-anisidine | Benzenamine, 5-chloro-2-methoxy- | EN300-16793 | PS

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

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Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488183848
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183848
• Sonrisas canónicas: COC1=C(C=C(C=C1)Cl)N
• IUPAC Name: 5-chloro-2-methoxyaniline
• InChIKey: WBSMIPLNPSCJFS-UHFFFAOYSA-N
• INCHI: 1S/C7H8ClNO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3
• Isómeros SMILES: COC1=C(C=C(C=C1)Cl)N
• Número ONU: 2233
• Grupo de embalaje: III
• Peso molecular: 157.6
• Reaxy-Rn: 879161
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=879161&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers
      • Subclass Aminophenyl ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Aminophenyl ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminophenyl ethers
• Alternative Parents: Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring.
• 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): 82 °C
• Peso molecular: 157.600 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 157.029 Da
• Monoisotopic Mass: 157.029 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 110.000
• 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