Nonane - anhydre, ≥99% , CAS No.111-84-2

CAS: 111-84-2 Cat. No.: N119711 Formule: C₉H₂₀ Poids moléculaire: 128.26 Beilstein Registry Number: 1(4)447 Numéro CE: 203-913-4

QUALITÉ & PURETÉ Anhydrous Grade, ≥99%

Synonyms

MFCD02099450 | Shellsol 140 | Lodyne S | NCGC00091787-01 | n-C9H20 | NSC72430 | NSC-72430 | CH3-[CH2]7-CH3 | DTXCID005796 | NONANE [HSDB] | CHEBI:32892 | HSDB 107 | Iotrochotin | NONANE MFC9 H20 | n-nonane-d20 | C8F3CAB9-DAF5-4085-84EB-07C0AB04D3A1 | Non

Storage

Température ambiante

Shipped In

FedEx DG Service

Spécifications

Synonymes

MFCD02099450 | Shellsol 140 | Lodyne S | NCGC00091787-01 | n-C9H20 | NSC72430 | NSC-72430 | CH3-[CH2]7-CH3 | DTXCID005796 | NONANE [HSDB] | CHEBI:32892 | HSDB 107 | Iotrochotin | NONANE MFC9 H20 | n-nonane-d20 | C8F3CAB9-DAF5-4085-84EB-07C0AB04D3A1 | Non

Spécifications et pureté

anhydre, ≥99%

Conditions de stockage de stockage

Température ambiante

Expédié en

FedEx DG Service

Grade

Anhydrous Grade

Pureté

≥99%

Noms et identifiants

Pubchem Sid

528772320

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528772320

Sourires canoniques

CCCCCCCCC

IUPAC Name

nonane

InChIKey

BKIMMITUMNQMOS-UHFFFAOYSA-N

INCHI

1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3

Isomères SMILES

CCCCCCCCC

RTECS

RA6115000

Numéro ONU

1920

Groupe d'emballage

III

Poids moléculaire

128.26

Beilstein

1(4)447

Reaxy-Rn

1696917

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696917&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

Cibles associées (humaines)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cibles associées (non humaines)

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: It is miscible with acetone, benzene, chloroform and heptane, soluble in ethanol and ether, insoluble in water.
• Indice de réfraction: 1.4
• Point d'éclair (°F): 87.8 °F
• Point d'éclair (°C): 31°C(lit.)
• Point d'ébullition (°C): 151°C
• Point de fusion (°C): -53°C
• Poids moléculaire: 128.250 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 128.157 Da
• Monoisotopic Mass: 128.157 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• 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