Diethoxy(methyl)phenylsilane - ≥97% , CAS No.775-56-4

CAS: 775-56-4 Cat. No.: D122440 Molecular Weight: 210.35 Beilstein Registry Number: 2938396 EC Number: 212-275-6

GRADE & PURITY ≥97%

Synonyms

D3760 | D90221 | EINECS 212-275-6 | AKOS015838816 | Q63409710 | Silane, diethoxymethylphenyl- | C11H18O2Si | Phenylmethyldiethoxysilane | Methylphenyldiethoxysilane | Diethoxy(methyl)(phenyl)silane | (Diethoxymethylsilyl)benzene | DTXSID30870773 | MFCD000

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

D3760 | D90221 | EINECS 212-275-6 | AKOS015838816 | Q63409710 | Silane, diethoxymethylphenyl- | C11H18O2Si | Phenylmethyldiethoxysilane | Methylphenyldiethoxysilane | Diethoxy(methyl)(phenyl)silane | (Diethoxymethylsilyl)benzene | DTXSID30870773 | MFCD000

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504754459
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754459
• Canonical Smiles: CCO[Si](C)(C1=CC=CC=C1)OCC
• IUPAC Name: diethoxy-methyl-phenylsilane
• InChIKey: MNFGEHQPOWJJBH-UHFFFAOYSA-N
• INCHI: 1S/C11H18O2Si/c1-4-12-14(3,13-5-2)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3
• Isomeric SMILES: CCO[Si](C)(C1=CC=CC=C1)OCC
• WGK Germany: 3
• Molecular Weight: 210.35
• Beilstein: 2938396
• Reaxy-Rn: 2938396
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2938396&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkylarylsilanes
• Alternative Parents: Benzene and substituted derivatives Alkoxysilanes Silyl ethers Organoheterosilanes Organic metalloid salts Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkylarylsilane - Benzenoid - Monocyclic benzene moiety - Alkoxysilane - Silyl ether - Organoheterosilane - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkylarylsilanes. These are organosilicon compounds with the general formula R[Si]R' (R = alkyl, R' = aryl).
• 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: 1.47
• Flash Point(°F): 192.2 °F
• Flash Point(°C): 88°C(190°F)
• Boil Point(°C): 117°C/31mmHg
• Molecular Weight: 210.340 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 210.108 Da
• Monoisotopic Mass: 210.108 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 149.000
• 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. Huadong Zhang, Zhongyi Yan, Zhizhou Yang, Jinshui Yao, Qiuhong Mu, Dan Peng, Hui Zhao.  (2021)  Study on the synthesis and thermal stability of silicone resins reinforced by Si–O–Ph cross-linking.  RSC Advances,  11  (49): (30971-30979).  [PMID:35498940] [10.1039/D1RA05524K]