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PHENYLTRIACETOXYSILANE , CAS No.18042-54-1
Discover PHENYLTRIACETOXYSILANE by Aladdin Scientific in for only $100.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
Phenyltriacetoxysilane | 18042-54-1 | Phenylsilanetriyl triacetate | [diacetyloxy(phenyl)silyl] acetate | Silanetriol, phenyl-, triacetate | Silanetriol, 1-phenyl-, 1,1,1-triacetate | Triacetoxyphenylsilane | EINECS 241-952-9 | phenyl triacetoxysilane | phenyltriace-toxysi
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Tricarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Tricarboxylic acids and derivatives
Alternative Parents
Trialkoxysilanes Benzene and substituted derivatives Acetate salts Organoheterosilanes Organic metalloid salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Tricarboxylic acid or derivatives - Trialkoxysilane - Monocyclic benzene moiety - Benzenoid - Alkoxysilane - Acetate salt - Carboxylic acid salt - Organoheterosilane - Organic metalloid salt - Hydrocarbon derivative - Organosilicon compound - Organic oxide - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic salt - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
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.
Names and Identifiers
IUPAC Name
[diacetyloxy(phenyl)silyl] acetate
INCHI
InChI=1S/C12H14O6Si/c1-9(13)16-19(17-10(2)14,18-11(3)15)12-7-5-4-6-8-12/h4-8H,1-3H3
InChIKey
VLFKGWCMFMCFRM-UHFFFAOYSA-N
Smiles
CC(=O)O[Si](C1=CC=CC=C1)(OC(=O)C)OC(=O)C
Isomeric SMILES
CC(=O)O[Si](C1=CC=CC=C1)(OC(=O)C)OC(=O)C
PubChem CID
87426
Molecular Weight
282.328
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
282.320 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
7
Exact Mass
282.056 Da
Monoisotopic Mass
282.056 Da
Topological Polar Surface Area
78.900 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
320.000
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
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