2-Chloro-4-methylaniline - ≥98%(GC) , CAS No.615-65-6

CAS: 615-65-6 Cat. No.: C133948 Peso molecular: 141.6 Beilstein Registry Number: 12(3)2152 Número EC: 210-440-7

GRADE & PURITY ≥98%(GC)

Synonyms

4-Amino-3-chlorotoluene | 2-Chloro-p-toluidine

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Descripción general

It was used in determination of aniline derivatives in environmental water samples using on-line combination of supported liquid membrane extraction and liquid chromatography.It was also used in determination of amines in environmental water samples by gas chromatography–mass spectrometry.

Specifications

Sinónimos

4-Amino-3-chlorotoluene | 2-Chloro-p-toluidine

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Protected from light, Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488181508
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181508
• Sonrisas canónicas: CC1=CC(=C(C=C1)N)Cl
• IUPAC Name: 2-chloro-4-methylaniline
• InChIKey: XGYLSRFSXKAYCR-UHFFFAOYSA-N
• INCHI: 1S/C7H8ClN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
• Isómeros SMILES: CC1=CC(=C(C=C1)N)Cl
• WGK Alemania: 3
• RTECS: XU5110000
• Peso molecular: 141.6
• Beilstein: 12(3)2152
• Reaxy-Rn: 774514
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774514&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Toluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminotoluenes
• Alternative Parents: Aniline and substituted anilines Chlorobenzenes Aryl chlorides Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminotoluene - Aniline or substituted anilines - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino 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: Slightly soluble in water; Slightly soluble in Acetone
• Sensibilidad: Light Sensitive,Air Sensitive
• Índice de refracción: 1.57
• Punto de inflamación (°F): 210.2 °F
• Punto de inflamación (°C): 99°C(lit.)
• Punto de ebullición (°C): 224 °C
• Punto de fusión (°C): 7°C(lit.)
• Peso molecular: 141.600 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 141.035 Da
• Monoisotopic Mass: 141.035 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 94.900
• 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