1-Hydroxyindan - ≥96% , CAS No.6351-10-6

CAS: 6351-10-6 Cat. No.: H419517 Molecular Weight: 134.18 Beilstein Registry Number: 6574 EC Number: 228-755-3

GRADE & PURITY ≥96%

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

Overview

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

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 |

Specifications & Purity

≥96%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504753101
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753101
• Canonical Smiles: 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
• Isomeric SMILES: C1CC2=CC=CC=C2C1O
• RTECS: NK7300000
• Molecular Weight: 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
    • Class Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• 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: 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

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water 10 g/L at 20°C, ethanol, benzene.
• Boil Point(°C): 220 °C
• Melt Point(°C): 52 °C
• Molecular Weight: 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

References

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]