1-Hydroxyindan - ≥99%(GC) , CAS No.6351-10-6

CAS: 6351-10-6 Cat. No.: H157335 분자식: C₉H₁₀O 분자량: 134.18 Beilstein Registry Number: 6574 EC 번호: 228-755-3

GRADE & PURITY ≥99%(GC)

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

개요

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

동의어

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 |

사양 및 순도

≥99%(GC)

보관 조건

Store at 2-8°C

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥99%(GC)

이름과 식별자

• Pubchem Sid: 508807454
• 정식 스마일: 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
• 이성체 SMILES: C1CC2=CC=CC=C2C1O
• RTECS: NK7300000
• 분자량: 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
    • 분류 Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(비인간)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water 10 g/L at 20°C, ethanol, benzene.
• 끓는점(°C): 220 °C
• 녹는점(°C): 52 °C
• 분자량: 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

참고 문헌

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]