Indan - ≥95% , CAS No.496-11-7

CAS: 496-11-7 Cat. No.: I105445 Formule: C₉H₁₀ Poids moléculaire: 118.18 Beilstein Registry Number: 1904376 Numéro CE: 207-814-7

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Pubchem Sid

488181114

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

C1CC2=CC=CC=C2C1

WGK Allemagne

3

RTECS

NK3750000

Numéro ONU

3295

Poids moléculaire

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
• Description: 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

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

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in ethanol, diethyl ether, chloroform (slightly), and ether. Insoluble in water.
• Indice de réfraction: 1.535-1.538
• Point d'éclair (°F): 129.2 °F
• Point d'éclair (°C): 50℃
• Point d'ébullition (°C): 176.5°C
• Point de fusion (°C): -51.4℃
• Poids moléculaire: 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