2,4-Dimethylbenzyl Chloride - ≥96% , CAS No.824-55-5

CAS: 824-55-5 Cat. No.: D304725 Peso molecular: 154.64 Número EC: 212-531-7

GRADE & PURITY ≥96%

Synonyms

MFCD00015556 | NSC405479 | NSC-405479 | SCHEMBL96223 | AT34214 | 2,4-Dimethylbenzyl chloride | AS-77004 | CK2041 | EINECS 212-531-7 | AM84238 | 2,4-DIMETHYLBENZYL CHLORIDE (CONTAINS 2,6-ISOMER) | AKOS000261865 | EN300-95820 | AI3-15519 | 4-(Chloromethyl)-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

MFCD00015556 | NSC405479 | NSC-405479 | SCHEMBL96223 | AT34214 | 2, 4-Dimethylbenzyl chloride | AS-77004 | CK2041 | EINECS 212-531-7 | AM84238 | 2, 4-DIMETHYLBENZYL CHLORIDE (CONTAINS 2, 6-ISOMER) | AKOS000261865 | EN300-95820 | AI3-15519 | 4-(Chloromethyl)-

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=C(C=C1)CCl)C
• IUPAC Name: 1-(chloromethyl)-2,4-dimethylbenzene
• InChIKey: BETNPSBTDMBHCZ-UHFFFAOYSA-N
• INCHI: 1S/C9H11Cl/c1-7-3-4-9(6-10)8(2)5-7/h3-5H,6H2,1-2H3
• Isómeros SMILES: CC1=CC(=C(C=C1)CCl)C
• Peso molecular: 154.64
• Reaxy-Rn: 742366
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742366&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl chlorides
• Alternative Parents: m-Xylenes Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-xylene - Xylene - Benzyl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzyl chlorides. These are organic compounds containing a benzene skeleton substituted with a chloromethyl 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

• Sensibilidad: Moisture Sensitive,Heat Sensitive
• Índice de refracción: 1.54
• Punto de inflamación (°C): 96 °C
• Punto de ebullición (°C): 103°/15mm
• Peso molecular: 154.630 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 154.055 Da
• Monoisotopic Mass: 154.055 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 101.000
• 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