Chlorotriphenylsilane - ≥95% , CAS No.76-86-8

CAS: 76-86-8 Cat. No.: C103643 Formula: C₁₈H₁₅ClSi Molecular Weight: 294.85 Beilstein Registry Number: 1820487 EC Number: 200-989-0

GRADE & PURITY ≥95%

Synonyms

TPSCl | EN300-226986 | NSC 102804 | Triphenylchlorosilane | Triphenylsilyl chloride | SILANE, CHLOROTRIPHENYL- | T0939 | AI3-51278 | DTXSID70870398 | Chlorotriphenylsilane | triphenylsilylchloride | A838876 | MNKYQPOFRKPUAE-UHFFFAOYSA- | Triphenylsilicon

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Overview

Chlorotriphenylsilane is used as a silylating agent. It is also used as a pharmaceutical intermediate.

Specifications

Synonyms

TPSCl | EN300-226986 | NSC 102804 | Triphenylchlorosilane | Triphenylsilyl chloride | SILANE, CHLOROTRIPHENYL- | T0939 | AI3-51278 | DTXSID70870398 | Chlorotriphenylsilane | triphenylsilylchloride | A838876 | MNKYQPOFRKPUAE-UHFFFAOYSA- | Triphenylsilicon

Specifications & Purity

≥95%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 508811636
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508811636
• Canonical Smiles: C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)Cl
• IUPAC Name: chloro(triphenyl)silane
• InChIKey: MNKYQPOFRKPUAE-UHFFFAOYSA-N
• INCHI: 1S/C18H15ClSi/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
• Isomeric SMILES: C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)Cl
• WGK Germany: 3
• RTECS: VV2720000
• UN Number: 3261
• Packing Group: II
• Molecular Weight: 294.85
• Beilstein: 1820487
• Reaxy-Rn: 1820487
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1820487&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: Silyl monohalides Organochlorosilanes Organic metalloid salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Silyl monohalide - Organoheterosilane - Organochlorosilane - Organic metalloid salt - Hydrocarbon derivative - Organic salt - Organosilicon compound - 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: Reacts with water.
• Sensitivity: Moisture & heat & light sensitive
• Boil Point(°C): 378°C
• Melt Point(°C): 92-94°C
• Molecular Weight: 294.800 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 294.063 Da
• Monoisotopic Mass: 294.063 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 240.000
• 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

References

1. Peng Liu, Yining Gao, Fazhou Wang, Lu Yang.  (2018)  Preparation of pervious concrete with 3-thiocyanatopropyltriethoxysilane modified fly ash and its use in Cd (II) sequestration.  Journal of Cleaner Production,      [PMID:] [10.1016/j.jclepro.2018.11.242]