Heptane - HPLC grade, ≥99%(GC) , CAS No.142-82-5

CAS: 142-82-5 Cat. No.: H108112 Formule: C₇H₁₆ Poids moléculaire: 100.2 Beilstein Registry Number: 1730763 Numéro CE: 205-563-8

QUALITÉ & PURETÉ HPLC grade, ≥99%(GC)

Synonyms

n-Heptane | Heptan

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Spécifications

Synonymes

n-Heptane | Heptan

Spécifications et pureté

HPLC grade, ≥99%(GC)

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

FedEx DG Service

Grade

HPLC grade

Pureté

≥99%(GC)

Noms et identifiants

Pubchem Sid

508813822

Sourires canoniques

CCCCCCC

IUPAC Name

heptane

InChIKey

IMNFDUFMRHMDMM-UHFFFAOYSA-N

INCHI

1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3

Isomères SMILES

CCCCCCC

WGK Allemagne

2

RTECS

MI7700000

Numéro ONU

1206

Groupe d'emballage

II

Poids moléculaire

100.2

Beilstein

1730763

Reaxy-Rn

1730763

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730763&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Classe Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic alkane - Alkane - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
• External Descriptors: a small molecule

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water; Degree of Solubility in water: 2.93 mg/l 25 °C; Soluble in Ether,Chloroform,Alcohol
• Indice de réfraction: 1.3855
• Point d'éclair (°F): 71.6 °F
• Point d'éclair (°C): (closed cup)-4℃
• Point d'ébullition (°C): 98.4°C
• Point de fusion (°C): -90.7°C
• Poids moléculaire: 100.200 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 100.125 Da
• Monoisotopic Mass: 100.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 19.200
• 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