Trimethylsilyl benzoate
Basic information
- CAS
2078-12-8- Standard SMILES
C[Si](C)(C)OC(=O)c1ccccc1- InChIKey
VFFKJOXNCSJSAQ-UHFFFAOYSA-N- Molecular formula
- C10H14O2Si
- Average molar mass
- 194.3 g/mol
- Monoisotopic mass
- 194.07630622
Names & identifiers
- Preferred name
- Trimethylsilyl benzoate
- IUPAC
- trimethylsilyl benzoate
- English name
- trimethylsilyl benzoate
- Molecular formula
- C10H14O2Si
- Molecular weight
- 194.3
Names & synonyms
Trimethylsilyl benzoate2P6V8SPS2B2078-12-8DTXSID30174864RefChem:1100474DTXCID7097355218-204-5Benzoic acid trimethylsilyl esterBenzoyloxytrimethylsilaneSilanol, trimethyl-, benzoateBenzoic acid, TMSTrimethylbenzoxysilane
Show more names
Benzoic acid trimethylsilylSilanol, 1,1,1-trimethyl-, 1-benzoate
Benzoic acid, monoTMSBenzoic acid, TMS esterUNII-2P6V8SPS2BBENZOIC ACID MONO-TMSBenzoic Acid, TMS derivativeSCHEMBL1759366Benzoic acid, trimethylsilyl esterEINECS 218-204-5
Database identifiers
- CAS
2078-12-8- PubChem CID
- 74955
- DTXSID
DTXSID30174864- UNII
- 2P6V8SPS2B
- EC Number
- 218-204-5
- Nikkaji
- J45.816C
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- -150 °C · -150 °C (approx)
- Boiling point
- 2210 °C · 2210 °C
- Density
- 1.004 g/cm3 · 1.004 g/cm3
- FDA UNII
- 2 P6V8SPS2B · 2P6V8SPS2B
Related reactions
1 records
Compound notes
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