2,4-Dimethyl-1-pentene - ≥98% , CAS No.2213-32-3

CAS: 2213-32-3 Cat. No.: D155428 Fórmula: C₇H₁₄ Peso molecular: 98.19 Beilstein Registry Number: 1(4)870 Número CE: 218-665-2

GRADE & PURITY ≥98%

Synonyms

MFCD00039854 | NSC 74135 | UNII-8Y6CJ16C5V | LXQPBCHJNIOMQU-UHFFFAOYSA-N | 2,4-Dimethylpent-1-ene | D89820 | 1-Pentene, 2,4-dimethyl- | AKOS009157525 | 2,4-DIMETHYL-1-PENTENE | D1249 | EN300-740150 | DTXSID00176653 | NSC74135 | NSC-74135 | EINECS 218-665-

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

MFCD00039854 | NSC 74135 | UNII-8Y6CJ16C5V | LXQPBCHJNIOMQU-UHFFFAOYSA-N | 2,4-Dimethylpent-1-ene | D89820 | 1-Pentene, 2,4-dimethyl- | AKOS009157525 | 2,4-DIMETHYL-1-PENTENE | D1249 | EN300-740150 | DTXSID00176653 | NSC74135 | NSC-74135 | EINECS 218-665-

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature,Desiccated

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

CC(C)CC(=C)C

IUPAC Name

2,4-dimethylpent-1-ene

InChIKey

LXQPBCHJNIOMQU-UHFFFAOYSA-N

INCHI

1S/C7H14/c1-6(2)5-7(3)4/h7H,1,5H2,2-4H3

SMILES isoméricas

CC(C)CC(=C)C

Peso molecular

98.19

Beilstein

1(4)870

Reaxy-Rn

1697387

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697387&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Classe Unsaturated hydrocarbons
      • Subclass Branched unsaturated hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: Unsaturated hydrocarbons
• Subclass: Branched unsaturated hydrocarbons
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched unsaturated hydrocarbons
• Alternative Parents: Unsaturated aliphatic hydrocarbons Alkenes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched unsaturated hydrocarbon - Unsaturated aliphatic hydrocarbon - Olefin - Alkene - Acyclic olefin - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as branched unsaturated hydrocarbons. These are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch.
• 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

Propriedades químicas e físicas

• Índice de refração: 1.39
• Ponto de inflamação (°C): -16°C(lit.)
• Ponto de ebulição (°C): 81°C
• Peso molecular: 98.190 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 98.1096 Da
• Monoisotopic Mass: 98.1096 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 60.400
• 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