Methyl 2-((trimethylsilyl)ethynyl)benzoate

HCID 11053512CAS 107793-07-7

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Basic information

Standard SMILES: COC(=O)c1ccccc1C#C[Si](C)(C)C
InChIKey: KJKMOADDOGZYQC-UHFFFAOYSA-N
Molecular formula: C13H16O2Si
Average molar mass: 232.35 g/mol
Monoisotopic mass: 232.09195628

Names & identifiers

Preferred name: Methyl 2-((trimethylsilyl)ethynyl)benzoate
IUPAC: methyl 2-(2-trimethylsilylethynyl)benzoate
English name: methyl 2-((trimethylsilyl)ethynyl)benzoate
Molecular formula: C13H16O2Si
Molecular weight: 232.35

Names & synonyms

methyl 2-((trimethylsilyl)ethynyl)benzoate107793-07-7DTXSID80453499Methyl 2-[(trimethylsilyl)ethynyl]benzoateRefChem:353754DTXCID10404318Methyl 2-(2-trimethylsilylethynyl)benzoateMETHYL 2-[2-(TRIMETHYLSILYL)ETHYNYL]BENZOATEMFCD11100443SCHEMBL497720KJKMOADDOGZYQC-UHFFFAOYSA-Nmethyl2-((trimethylsilyl)ethynyl)benzoate

Show more names

methyl 2-(2-trimethylsilyl-1-ethynyl)benzoateBenzoic acid, 2-[2-(trimethylsilyl)ethynyl]-, methyl ester

CS-0416089trimethylsilylethynylbenzoic acid methyl esterF78979F7622962-Trimethylsilanylethynyl-benzoic Acid Methyl Ester

Database identifiers

CAS: 107793-07-7
PubChem CID: 11053512
DTXSID: DTXSID80453499
Nikkaji: J1.067.537E

Properties

Computed structural properties

Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 316

Physicochemical properties

Boiling point: 289.2 · 289.2±32.0 °C(Predicted)
Density: 1.02 · 1.02±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501