Allyltriphenyltin - ≥95% , CAS No.76-63-1

CAS: 76-63-1 Cat. No.: A151108 Formula: C₂₁H₂₀Sn Molecular Weight: 391.10 Beilstein Registry Number: 3612760 EC Number: 200-975-4

GRADE & PURITY ≥95%

Synonyms

UNII-WZ237DXN26 | Allyltriphenyltin | D88442 | DTXSID70226896 | WLN: 1U2-SN-R&R&R | Stannane, triphenyl-2-propenyl- | triphenyl(prop-2-enyl)stannane | Dowco 187 | Allyltriphenylstannane | allyl-triphenyl-stannane | NSC 227360 | BRN 3612762 | EINECS 200-97

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

UNII-WZ237DXN26 | Allyltriphenyltin | D88442 | DTXSID70226896 | WLN: 1U2-SN-R&R&R | Stannane, triphenyl-2-propenyl- | triphenyl(prop-2-enyl)stannane | Dowco 187 | Allyltriphenylstannane | allyl-triphenyl-stannane | NSC 227360 | BRN 3612762 | EINECS 200-97

Specifications & Purity

≥95%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

Canonical Smiles

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

IUPAC Name

triphenyl(prop-2-enyl)stannane

InChIKey

NDUYAGLANMHJHF-UHFFFAOYSA-N

INCHI

1S/3C6H5.C3H5.Sn/c3*1-2-4-6-5-3-1;1-3-2;/h3*1-5H;3H,1-2H2;

Isomeric SMILES

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

WGK Germany

3

RTECS

WH6705000

Molecular Weight

391.10

Beilstein

3612760

Reaxy-Rn

3612762

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3612762&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Metal aryls Metal allyls Organic salts Monoalkyltins Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Metal aryl - Monocyclic benzene moiety - Metal allyl - Hydrocarbon derivative - Monoalkyltin - Organic salt - Organotin compound - Organometallic compound - Organic post-transition metal moeity - Aromatic homomonocyclic compound
• Description: 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: 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

Chemical and Physical Properties

• Solubility: Insoluble in water
• Sensitivity: Air Sensitive
• Melt Point(°C): 74 °C
• Molecular Weight: 391.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 392.059 Da
• Monoisotopic Mass: 392.059 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 284.000
• 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