インデーン - ≥98% , CAS No.95-13-6

CAS: 95-13-6 Cat. No.: I105568 分子式: C₉H₈ 分子量: 116.16 Beilstein Registry Number: 635873 EC番号: 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

2-8℃で保管、アルゴン充填

Shipped In

濡れた氷

Specifications

同義語

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 |

仕様と純度

≥98%

保管条件

2-8℃で保管、アルゴン充填

入荷

濡れた氷

純度

≥98%

名前と識別子

パブケム・シド

508816461

カノニカル・スマイル

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

異性体SMILES

C1C=CC2=CC=CC=C21

WGKドイツ

1

RTECS

NK8225000

UN番号

1993

包装グループ

I

分子量

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
    • 分類 Indenes and isoindenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Insoluble in water; Miscible with Ether,Alcohol
• 感度: Air & Light sensitive.
• 屈折率: 1.595
• 引火点（°F）: 136.40℉
• 引火点（°C）: 58°C
• 沸点（°C）: 181-182°C
• 融点（°C）: -5--3°C
• 分子量: 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