Indene - ≥98% , CAS No.95-13-6

CAS: 95-13-6 Cat. No.: I105568 Formule: C₉H₈ Poids moléculaire: 116.16 Beilstein Registry Number: 635873 Numéro CE: 202-393-6

GRADE & PURITY ≥98%

Synonyms

HSDB 5286 | indene, (1H-indene) | Q27115417 | A845191 | INDENE | Q421008 | CAS-95-13-6 | CHEBI:41921 | Inden | F0001-2266 | 1H-Indene | EN300-19944 | STL268869 | DTXCID6022052 | Indenyl radical | D72500 | I0354 | Indonaphthene | BS-22312 | WLN: L56 BHJ |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

HSDB 5286 | indene, (1H-indene) | Q27115417 | A845191 | INDENE | Q421008 | CAS-95-13-6 | CHEBI:41921 | Inden | F0001-2266 | 1H-Indene | EN300-19944 | STL268869 | DTXCID6022052 | Indenyl radical | D72500 | I0354 | Indonaphthene | BS-22312 | WLN: L56 BHJ |

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

508816461

Sourires canoniques

C1C=CC2=CC=CC=C21

IUPAC Name

1H-indene

InChIKey

YBYIRNPNPLQARY-UHFFFAOYSA-N

INCHI

1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2

Isomères SMILES

C1C=CC2=CC=CC=C21

WGK Allemagne

1

RTECS

NK8225000

Numéro ONU

1993

Groupe d'emballage

I

Poids moléculaire

116.16

Beilstein

635873

Reaxy-Rn

635873

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635873&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Indenes and isoindenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Indenes and isoindenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indenes and isoindenes
• Alternative Parents: Aromatic hydrocarbons Polycyclic hydrocarbons Cyclic olefins
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indenes and isoindenes. These are compounds containing an indene moiety(which consists of a cyclopentadiene fused to a benzene ring), or a isoindene moiety (which consists of a cyclopentadiene fused to cyclohexadiene ring).
• External Descriptors: ortho-fused bicyclic arene - indene

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)

CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)

Discover Target: CES1

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water; Miscible with Ether,Alcohol
• Sensibilité: Air & Light sensitive.
• Indice de réfraction: 1.595
• Point d'éclair (°F): 136.40℉
• Point d'éclair (°C): 58°C
• Point d'ébullition (°C): 181-182°C
• Point de fusion (°C): -5--3°C
• Poids moléculaire: 116.160 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 116.063 Da
• Monoisotopic Mass: 116.063 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 124.000
• 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