Indan - ≥95% , CAS No.496-11-7

CAS: 496-11-7 Cat. No.: I105445 Fórmula: C₉H₁₀ Peso molecular: 118.18 Beilstein Registry Number: 1904376 Número CE: 207-814-7

GRAU & PUREZA ≥95%

Synonyms

UNII-H9SCX043IG | AI3-02275 | FT-0627193 | Indan, 95% | NCGC00357139-01 | Q420109 | A827773 | Benzocyclopentane | 2,3-Dihydro-1H-indene | DTXCID9030701 | STR04252 | AKOS000121540 | Indene, 2,3-dihydro- | Indan, analytical standard | Dihydroindene | NSC 52

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

UNII-H9SCX043IG | AI3-02275 | FT-0627193 | Indan, 95% | NCGC00357139-01 | Q420109 | A827773 | Benzocyclopentane | 2,3-Dihydro-1H-indene | DTXCID9030701 | STR04252 | AKOS000121540 | Indene, 2,3-dihydro- | Indan, analytical standard | Dihydroindene | NSC 52

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

488181114

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181114

Sorrisos canónicos

C1CC2=CC=CC=C2C1

IUPAC Name

2,3-dihydro-1H-indene

InChIKey

PQNFLJBBNBOBRQ-UHFFFAOYSA-N

INCHI

1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2

SMILES isoméricas

C1CC2=CC=CC=C2C1

WGK Alemanha

3

RTECS

NK3750000

Número UN

3295

Peso molecular

118.18

Beilstein

1904376

Reaxy-Rn

1904376

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1904376&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Indanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanes
• Alternative Parents: Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indane - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.
• External Descriptors: indanes - ortho-fused bicyclic hydrocarbon

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

Alvos associados (humanos)

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in ethanol, diethyl ether, chloroform (slightly), and ether. Insoluble in water.
• Índice de refração: 1.535-1.538
• Ponto de inflamação (°F): 129.2 °F
• Ponto de inflamação (°C): 50℃
• Ponto de ebulição (°C): 176.5°C
• Ponto de fusão (°C): -51.4℃
• Peso molecular: 118.180 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 118.078 Da
• Monoisotopic Mass: 118.078 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 84.200
• 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