2,4,6-Triisopropylbenzyl Chloride - ≥98% , CAS No.38580-86-8

CAS: 38580-86-8 Cat. No.: T303616 Peso molecular: 252.83 Número EC: 678-515-0 PubChem CID: 12480672

GRADE & PURITY ≥98%

Synonyms

2-(chloromethyl)-1,3,5-tri(propan-2-yl)benzene | A824199 | 2,4,6-Triisopropylbenzyl Chloride | CQHQLMOCMQMZPP-UHFFFAOYSA-N | 2-Chloromethyl-1,3,5-triisopropylbenzene | 2-(chloromethyl)-1,3,5-triisopropylbenzene | 2-(chloromethyl)-1,3,5-triisopropyl-benzen

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

2-(chloromethyl)-1, 3, 5-tri(propan-2-yl)benzene | A824199 | 2, 4, 6-Triisopropylbenzyl Chloride | CQHQLMOCMQMZPP-UHFFFAOYSA-N | 2-Chloromethyl-1, 3, 5-triisopropylbenzene | 2-(chloromethyl)-1, 3, 5-triisopropylbenzene | 2-(chloromethyl)-1, 3, 5-triisopropyl-benzen

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504767128
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767128
• Sonrisas canónicas: CC(C)C1=CC(=C(C(=C1)C(C)C)CCl)C(C)C
• IUPAC Name: 2-(chloromethyl)-1,3,5-tri(propan-2-yl)benzene
• InChIKey: CQHQLMOCMQMZPP-UHFFFAOYSA-N
• INCHI: 1S/C16H25Cl/c1-10(2)13-7-14(11(3)4)16(9-17)15(8-13)12(5)6/h7-8,10-12H,9H2,1-6H3
• Isómeros SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)CCl)C(C)C
• PubChem CID: 12480672
• Peso molecular: 252.83

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Phenylpropanes Cumenes Benzyl chlorides Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic monoterpenoid - Aromatic monoterpenoid - P-cymene - Phenylpropane - Cumene - Benzyl halide - Benzyl chloride - Benzenoid - Monocyclic benzene moiety - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic 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): 34-37°C
• Peso molecular: 252.820 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 252.164 Da
• Monoisotopic Mass: 252.164 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 202.000
• 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