4-Methyl-1-cyclohexene - ≥97% , CAS No.591-47-9

CAS: 591-47-9 Cat. No.: M304079 Formule: C₆H₉CH₃ Poids moléculaire: 96.17 Numéro CE: 209-715-4

GRADE & PURITY ≥97%

Synonyms

EN300-103785 | Cyclohexene, 4-methyl- | MFCD00001573 | NSC 9386 | M0201 | 4-METHYLCYCLOHEXENE | 4-methyl-cyclohexene | FT-0618984 | AKOS015842661 | 4-Methyl-1-cyclohexene | 4-Methylcyclohexene-1 | 4-Methylcyclohexene, 99% | 2N22W8H0JX | DTXSID10862257 | U

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Vue d’ensemble

Application：

4-Methyl-1-cyclohexene is used in the synthesis of an enantiomerically pure oxaliplatin derivative, {(1R,2R,4R)-4-Methyl-1,2-cyclohexanediamine}oxalatoplatinum(II), which exhibits good anticancer activity. It is also used in the preparation of N,N-diethyldithiocarbamate functionalized 1,4-polyisoprenes.

Specifications

Synonymes

EN300-103785 | Cyclohexene, 4-methyl- | MFCD00001573 | NSC 9386 | M0201 | 4-METHYLCYCLOHEXENE | 4-methyl-cyclohexene | FT-0618984 | AKOS015842661 | 4-Methyl-1-cyclohexene | 4-Methylcyclohexene-1 | 4-Methylcyclohexene, 99% | 2N22W8H0JX | DTXSID10862257 | U

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

FedEx DG Service

Pureté

≥97%

Noms et identifiants

Pubchem Sid

508809641

Sourires canoniques

CC1CCC=CC1

IUPAC Name

4-methylcyclohexene

InChIKey

FSWCCQWDVGZMRD-UHFFFAOYSA-N

INCHI

1S/C7H12/c1-7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3

Isomères SMILES

CC1CCC=CC1

WGK Allemagne

3

Poids moléculaire

96.17

Reaxy-Rn

1901299

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1901299&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Classe Unsaturated hydrocarbons
      • Subclass Olefins
        • Level5 Cyclic olefins
          • Level6 Cycloalkenes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: Unsaturated hydrocarbons
• Subclass: Olefins
• Intermediate Tree Nodes: Cyclic olefins
• Direct Parent: Cycloalkenes
• Alternative Parents: Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cycloalkene - Unsaturated aliphatic hydrocarbon - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cycloalkenes. These are unsaturated monocyclic hydrocarbons having one endocyclic double bond.
• 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.4400-1.4420
• Point d'éclair (°F): 19.4 °F
• Point d'éclair (°C): -7 °C
• Point d'ébullition (°C): 104°C
• Poids moléculaire: 96.170 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 96.0939 Da
• Monoisotopic Mass: 96.0939 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 72.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1