2,4-Bis(chloromethyl)-1,3,5-trimethylbenzene - ≥95% , CAS No.1585-17-7

CAS: 1585-17-7 Cat. No.: B167617 Peso molecular: 217.13 Número EC: 628-573-8

GRADE & PURITY ≥95%

Synonyms

D88883 | 2,4-Bis(chloromethylmesitylene) | bis-(chloromethyl)mesitylene | Bis-(chloromethyl)-mesitylene | F0020-1770 | Benzene,4-bis(chloromethyl)-1,3,5-trimethyl- | 2,4-Bis-(chloromethy6l)-1,3,5-trimethyl-benzene | MFCD00013681 | AKOS001083129 | 2,4-Bis(

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

D88883 | 2, 4-Bis(chloromethylmesitylene) | bis-(chloromethyl)mesitylene | Bis-(chloromethyl)-mesitylene | F0020-1770 | Benzene, 4-bis(chloromethyl)-1, 3, 5-trimethyl- | 2, 4-Bis-(chloromethy6l)-1, 3, 5-trimethyl-benzene | MFCD00013681 | AKOS001083129 | 2, 4-Bis(

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=C(C(=C1CCl)C)CCl)C
• IUPAC Name: 2,4-bis(chloromethyl)-1,3,5-trimethylbenzene
• InChIKey: JMNDJDCLOQRCJV-UHFFFAOYSA-N
• INCHI: 1S/C11H14Cl2/c1-7-4-8(2)11(6-13)9(3)10(7)5-12/h4H,5-6H2,1-3H3
• Isómeros SMILES: CC1=CC(=C(C(=C1CCl)C)CCl)C
• WGK Alemania: 3
• Peso molecular: 217.13
• Reaxy-Rn: 2520798
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2520798&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: Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 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

• Punto de ebullición (°C): 180 °C/20 mmHg
• Punto de fusión (°C): 107 °C
• Peso molecular: 217.130 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 216.047 Da
• Monoisotopic Mass: 216.047 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 142.000
• 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