5-Acetylindan - ≥95% , CAS No.4228-10-8

CAS: 4228-10-8 Cat. No.: A151500 分子式: C₁₁H₁₂O 分子量: 160.22 Beilstein Registry Number: 7(4)1035

GRADE & PURITY ≥95%

Synonyms

1-(2,3-Dihydro-1H-inden-6-yl)ethanone | NSC33137 | Ethanone,3-dihydro-1H-inden-5-yl)- | 1-(2,3-Dihydro-1H-inden-5-yl)ethan-1-one | 1-indane-5-yl-ethanone | Z90665628 | 5-Acetylindan | MFCD00021246 | A936744 | HCMWPTFPUCPKQM-UHFFFAOYSA-N | AKOS000346126 |

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

1-(2,3-Dihydro-1H-inden-6-yl)ethanone | NSC33137 | Ethanone,3-dihydro-1H-inden-5-yl)- | 1-(2,3-Dihydro-1H-inden-5-yl)ethan-1-one | 1-indane-5-yl-ethanone | Z90665628 | 5-Acetylindan | MFCD00021246 | A936744 | HCMWPTFPUCPKQM-UHFFFAOYSA-N | AKOS000346126 |

仕様と純度

≥95%

保管条件

Room temperature

入荷

Normal

純度

≥95%

名前と識別子

パブケム・シド

488188851

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488188851

カノニカル・スマイル

CC(=O)C1=CC2=C(CCC2)C=C1

IUPAC Name

1-(2,3-dihydro-1H-inden-5-yl)ethanone

InChIKey

HCMWPTFPUCPKQM-UHFFFAOYSA-N

INCHI

1S/C11H12O/c1-8(12)10-6-5-9-3-2-4-11(9)7-10/h5-7H,2-4H2,1H3

異性体SMILES

CC(=O)C1=CC2=C(CCC2)C=C1

分子量

160.22

Beilstein

7(4)1035

Reaxy-Rn

1942756

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1942756&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Indanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanes
• Alternative Parents: Acetophenones Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indane - Acetophenone - Aryl alkyl ketone - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• 説明: 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: 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

化学的性質と物理的性質

• 屈折率: 1.56
• 沸点（°C）: 85°C/0.5mmHg(lit.)
• 分子量: 160.210 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 160.089 Da
• Monoisotopic Mass: 160.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 185.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥95% 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 4228-10-8, the molecular formula is C11H12O, and the molecular weight is 160.22 g/mol. InChIKey HCMWPTFPUCPKQM-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.