5-Hydroxy-1-indanone - ≥98% , CAS No.3470-49-3

CAS: 3470-49-3 Cat. No.: H103118 분자식: C₉H₈O₂ 분자량: 148.16 Beilstein Registry Number: 8(1)558 EC 번호: 627-457-4

GRADE & PURITY ≥98%

Synonyms

5-hydroxy-2,3-dihydro-1H-indene-1-one | Z1255457932 | tri-tert butylphosphine | 5-Hydroxy-1-indanone, 95% | 5-hydroxy-2,3-dihydro-1H-inden-1-one | AKOS005207246 | 5-Hydroxyindanone | 1-oxo-5-indanol | 1H-Inden-1-one, 2,3-dihydro-5-hydroxy- | 5-Hydroxy-1-i

Storage

Room temperature

Shipped In

Normal

개요

Product Introduction

5-Hydroxy-1-indanone is a 1-indanone derivative.

Application

5-Hydroxy-1-indanone may be used in the preparation of (5-hydroxy-indan-(1E)-ylidene)-acetic acid and 5-[2-(phenyl)ethoxy]-1-indanone. It may be used as a starting material in the multi-step synthesis of 5H-indeno[1,2-c]pyridazin-5-one analogs.

Specifications

동의어

5-hydroxy-2,3-dihydro-1H-indene-1-one | Z1255457932 | tri-tert butylphosphine | 5-Hydroxy-1-indanone, 95% | 5-hydroxy-2,3-dihydro-1H-inden-1-one | AKOS005207246 | 5-Hydroxyindanone | 1-oxo-5-indanol | 1H-Inden-1-one, 2,3-dihydro-5-hydroxy- | 5-Hydroxy-1-i

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488188842
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188842
• 정식 스마일: C1CC(=O)C2=C1C=C(C=C2)O
• IUPAC Name: 5-hydroxy-2,3-dihydroinden-1-one
• InChIKey: ZRKQOVXGDIZYDS-UHFFFAOYSA-N
• INCHI: 1S/C9H8O2/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,10H,1,4H2
• 이성체 SMILES: C1CC(=O)C2=C1C=C(C=C2)O
• WGK 독일: 3
• 분자량: 148.16
• Beilstein: 8(1)558
• Reaxy-Rn: 1281906
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1281906&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Indanes
      • Subclass Indanones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Indanes
• Subclass: Indanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanones
• Alternative Parents: Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indanone - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.
• External Descriptors: Not available

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

화학 및 물리적 특성

• 녹는점(°C): 175°C
• 분자량: 148.160 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 148.052 Da
• Monoisotopic Mass: 148.052 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 176.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3470-49-3, the molecular formula is C9H8O2, and the molecular weight is 148.16 g/mol. InChIKey ZRKQOVXGDIZYDS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.