1-Hydroxyindan - ≥98% , CAS No.6351-10-6

CAS: 6351-10-6 Cat. No.: H592262 Peso molecular: 134.18 Beilstein Registry Number: 6574 Número EC: 228-755-3

GRADE & PURITY ≥98%

Synonyms

AM804173 | EN300-21659 | Indan-1-ol | MFCD00064165 | SY289024 | DTXSID10871162 | InChI=1/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H | 1-Indanole | 1H-Inden-1-ol,3-dihydro- | EINECS 228-755-3 | SCHEMBL1747186 | 2,3-Dihydro-1H-inden-1-ol | SY014889 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Chiral-sensitive aggregation of 1-indanol has been studied by FTIR spectroscopy. Transfer dehydrogenation of 1-indanol has been investigated over heterogeneous palladium catalyst using cyclohexene as hydrogen acceptor.

Specifications

Sinónimos

AM804173 | EN300-21659 | Indan-1-ol | MFCD00064165 | SY289024 | DTXSID10871162 | InChI=1/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4, 9-10H, 5-6H | 1-Indanole | 1H-Inden-1-ol, 3-dihydro- | EINECS 228-755-3 | SCHEMBL1747186 | 2, 3-Dihydro-1H-inden-1-ol | SY014889 |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CC2=CC=CC=C2C1O
• IUPAC Name: 2,3-dihydro-1H-inden-1-ol
• InChIKey: YIAPLDFPUUJILH-UHFFFAOYSA-N
• INCHI: 1S/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2
• Isómeros SMILES: C1CC2=CC=CC=C2C1O
• RTECS: NK7300000
• Peso molecular: 134.18
• Beilstein: 6574
• Reaxy-Rn: 2042960
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042960&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Indanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanes
• Alternative Parents: Secondary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indane - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic homopolycyclic compound
• Descripción: 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: 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

Objetivos asociados (no humanos)

Pseudomonas aeruginosa (123386 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water 10 g/L at 20°C, ethanol, benzene.
• Punto de ebullición (°C): 220 °C
• Punto de fusión (°C): 52 °C
• Peso molecular: 134.170 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 134.073 Da
• Monoisotopic Mass: 134.073 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 122.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. You-Ping Zhang, Ling-Xiao Xiong, Ying Wang, Kuan Li, Bang-Jin Wang, Sheng-Ming Xie, Jun-Hui Zhang, Li-Ming Yuan.  (2022)  Preparation of chiral stationary phase based on a [3+3] chiral polyimine macrocycle by thiol-ene click chemistry for enantioseparation in normal-phase and reversed-phase high performance liquid chromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:35732093] [10.1016/j.chroma.2022.463253]