Phenylsilane - ≥97%(GC) , CAS No.694-53-1

CAS: 694-53-1 Cat. No.: P160608 Formula: C₆H₈Si Molecular Weight: 108.22 EC Number: 211-772-5

GRADE & PURITY ≥97%(GC)

Synonyms

monophenylsilane | Monophenylsilane

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

monophenylsilane | Monophenylsilane

Specifications & Purity

≥97%(GC)

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

Pubchem Sid

504764058

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764058

Canonical Smiles

C1=CC=C(C=C1)[Si]

InChIKey

XJWOWXZSFTXJEX-UHFFFAOYSA-N

INCHI

1S/C6H5Si/c7-6-4-2-1-3-5-6/h1-5H

Isomeric SMILES

C1=CC=C(C=C1)[Si]

WGK Germany

3

RTECS

VV4825000

UN Number

3399

Packing Group

II

Molecular Weight

108.22

Reaxy-Rn

2935169

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: Organosilicon compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Hydrocarbon derivative - Organosilicon compound - Organic metalloid 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: Contact with water releases a flammable alcohol. Soluble in water (Contact with water releases flammable gases), and most common organic solvents.
• Sensitivity: Moisture sensitive;Air sensitive
• Refractive Index: 1.51
• Flash Point(°F): 46.4 °F
• Flash Point(°C): 8°C(lit.)
• Boil Point(°C): 120 °C
• Molecular Weight: 105.190 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 105.016 Da
• Monoisotopic Mass: 105.016 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 46.100
• 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

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 694-53-1, the molecular formula is C6H8Si, and the molecular weight is 108.22 g/mol. InChIKey XJWOWXZSFTXJEX-UHFFFAOYSA-N.

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.