Benzylchlorodimethylsilane - ≥95% , CAS No.1833-31-4

CAS: 1833-31-4 Cat. No.: B152690 Molecular Weight: 184.74 Beilstein Registry Number: 16(4)1497 EC Number: 627-269-2

GRADE & PURITY ≥95%

Synonyms

DTXSID4062012 | Benzylchlorodimethylsilane | benzyl-chloro-dimethylsilane | AKOS015839040 | MFCD00018089 | Benzyldimethylchlorosilane | BRN 2935456 | 4-16-00-01497 (Beilstein Handbook Reference) | FS-5726 | J-011740 | SILANE, BENZYLCHLORODIMETHYL- | S0095

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Application

Benzylchlorodimethylsilane can be used to prepare: A ferrocene based mesoporous catalyst, applicable in the oxidation of styrene. Silylbissulfide named 3-(benzyldimethylsilyl)-1,3-bis(phenylthio)-1-propene. Silyl enyne by reacting with 6-hept-1-yne and nBu-Li, for further use in the intramolecular cross-metathesis to yield silicon substituted diene.

Specifications

Synonyms

DTXSID4062012 | Benzylchlorodimethylsilane | benzyl-chloro-dimethylsilane | AKOS015839040 | MFCD00018089 | Benzyldimethylchlorosilane | BRN 2935456 | 4-16-00-01497 (Beilstein Handbook Reference) | FS-5726 | J-011740 | SILANE, BENZYLCHLORODIMETHYL- | S0095

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504752707
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752707
• Canonical Smiles: C[Si](C)(CC1=CC=CC=C1)Cl
• IUPAC Name: benzyl-chloro-dimethylsilane
• InChIKey: ABHNFDUSOVXXOA-UHFFFAOYSA-N
• INCHI: 1S/C9H13ClSi/c1-11(2,10)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
• Isomeric SMILES: C[Si](C)(CC1=CC=CC=C1)Cl
• WGK Germany: 3
• RTECS: VV1810000
• Molecular Weight: 184.74
• Beilstein: 16(4)1497
• Reaxy-Rn: 2935456
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2935456&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: Trialkylchlorosilanes Silyl monohalides Organochlorosilanes Organic metalloid salts Alkylhalosilanes Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Trialkylchlorosilane - Trialkylheterosilane - Silyl monohalide - Organoheterosilane - Organochlorosilane - Organic metalloid salt - Alkylhalosilane - 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

• Sensitivity: Moisture sensitive
• Refractive Index: 1.51
• Flash Point(°F): 163.4 °F
• Flash Point(°C): 73°C
• Boil Point(°C): 211°C
• Molecular Weight: 184.740 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 184.048 Da
• Monoisotopic Mass: 184.048 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 117.000
• 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. Jianjun Wang, Tingting Wu, Dongning Li, Zhichun Shi, Jiao Liu, Yu Zang, Toshiki Aoki.  (2024)  Novel chiral composite membranes coated by microporous hyper-crosslinked polymer for efficiently enantioselective separation.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.126833]