Fentin acetate - analytical standard , CAS No.900-95-8

CAS: 900-95-8 Cat. No.: F114816 分子式: C₂₀H₁₈SnO₂ 分子量: 409.07 Beilstein Registry Number: 4146107 EC番号: 212-984-0

GRADE & PURITY Analytical standard

Synonyms

B4424 | DTXCID101408 | Tinestan | Fintin acetato [Italian] | NSC 76068 | Triphenylaceto stannane | Acetato di stagno trifenile | Acetoxy-triphenyl-stannan [German] | Brestan | Trifenil stagno acetato | Weed-Hoe | Acetoxytriphenylstannane | Acetoxy-triphen

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

同義語

B4424 | DTXCID101408 | Tinestan | Fintin acetato [Italian] | NSC 76068 | Triphenylaceto stannane | Acetato di stagno trifenile | Acetoxy-triphenyl-stannan [German] | Brestan | Trifenil stagno acetato | Weed-Hoe | Acetoxytriphenylstannane | Acetoxy-triphen

仕様と純度

analytical standard

保管条件

Room temperature

入荷

FedEx DG Service

等級

分析用標準物質

名前と識別子

カノニカル・スマイル

CC(=O)O[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

IUPAC Name

triphenylstannyl acetate

InChIKey

WDQNIWFZKXZFAY-UHFFFAOYSA-M

INCHI

1S/3C6H5.C2H4O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1

異性体SMILES

CC(=O)O[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

WGKドイツ

3

RTECS

WH6650000

UN番号

3146

包装グループ

I

分子量

409.07

Beilstein

4146107

Reaxy-Rn

3819297

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3819297&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Metal aryls Monocarboxylic acids and derivatives Carboxylic acids Organotin compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Metal aryl - Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organotin compound - Organooxygen compound - Organometallic compound - Organic post-transition metal moeity - Carbonyl group - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: Organotin fungicides

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

• 分子量: 409.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 410.033 Da
• Monoisotopic Mass: 410.033 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 332.000
• 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

XLogP3