Methylcyclopentane - ≥96% , CAS No.96-37-7

CAS: 96-37-7 Cat. No.: M101587 Fórmula: CH₃CH(CH₂)₄ Peso molecular: 84.16 Beilstein Registry Number: 1900214 Número EC: 202-503-2

CALIDAD & PUREZA ≥96%

Synonyms

WLN: L5TJ A1 | NSC 24836 | NCGC00260428-01 | UNII-5G26CC1ASK | NSC24836 | NSC-24836 | BRN 1900214 | InChI=1/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H | CCRIS 6058 | FT-0629521 | EINECS 202-503-2 | Methylcyclopentane [UN2298] [Flammable liquid] | Cyclopentane, me

Storage

Room temperature

Shipped In

FedEx DG Service

Descripción general

Methylcyclopentane can undergo ring opening or ring enlargement to yield various hydrocarbons including branched and unbranched hexanes, cyclohexane and benzene.

Especificaciones

Sinónimos

WLN: L5TJ A1 | NSC 24836 | NCGC00260428-01 | UNII-5G26CC1ASK | NSC24836 | NSC-24836 | BRN 1900214 | InChI=1/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H | CCRIS 6058 | FT-0629521 | EINECS 202-503-2 | Methylcyclopentane [UN2298] [Flammable liquid] | Cyclopentane, me

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Pureza

≥96%

Nombres e identificadores

Pubchem Sid

504751295

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751295

Sonrisas canónicas

CC1CCCC1

IUPAC Name

methylcyclopentane

InChIKey

GDOPTJXRTPNYNR-UHFFFAOYSA-N

INCHI

1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3

Isómeros SMILES

CC1CCCC1

WGK Alemania

3

RTECS

GY4640000

Número ONU

2298

Grupo de embalaje

II

Peso molecular

84.16

Beilstein

1900214

Reaxy-Rn

1900214

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1900214&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Clase Saturated hydrocarbons
      • Subclass Cycloalkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Clase: Saturated hydrocarbons
• Subclass: Cycloalkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cycloalkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cycloalkane - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cycloalkanes. These are saturated monocyclic hydrocarbons (with or without side chains).
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water; Degree of Solubility in water: 42 mg/l 25 °C; Miscible with Ether,Acetone,Ethanol
• Punto de congelación (°C): -140 °C
• Índice de refracción: 1.41
• Punto de inflamación (°F): -20.2℉
• Punto de inflamación (°C): -29°C
• Punto de ebullición (°C): 72°C
• Punto de fusión (°C): -140 °C
• Peso molecular: 84.160 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 84.0939 Da
• Monoisotopic Mass: 84.0939 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 33.300
• 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