Tributyltin chloroacetate , CAS No.5847-52-9

CAS: 5847-52-9 Cat. No.: T930459 Formule: C₁₄H₂₉ClO₂Sn Poids moléculaire: 383.540

Storage

Room temperature

Specifications

Conditions de stockage de stockage

Room temperature

Noms et identifiants

Sourires canoniques

CCCC[Sn](CCCC)(CCCC)OC(=O)CCl

IUPAC Name

tributylstannyl 2-chloroacetate

InChIKey

VULBAORKCQWGGB-UHFFFAOYSA-M

INCHI

1S/3C4H9.C2H3ClO2.Sn/c3*1-3-4-2;3-1-2(4)5;/h3*1,3-4H2,2H3;1H2,(H,4,5);/q;;;;+1/p-1

Poids moléculaire

383.540

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acids
• Alternative Parents: Trialkyltins Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides Organic cations
• Molecular Framework: Not available
• Substituents: Alpha-halocarboxylic acid - Carboxylic acid salt - Trialkyltin - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl chloride - Alkyl halide - Organotin compound - Organooxygen compound - Organometallic compound - Organochloride - Organic post-transition metal moeity - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 383.540 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 384.088 Da
• Monoisotopic Mass: 384.088 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 200.000
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

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

The CAS Number is 5847-52-9, the molecular formula is C14H29ClO2Sn, and the molecular weight is 383.540 g/mol. InChIKey VULBAORKCQWGGB-UHFFFAOYSA-M.

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.