4-(Trimethylsilylethynyl)benzyl alcohol

HCID 11241165CAS 275386-60-2

Substructure search Find similar structures

Basic information

Standard SMILES: C[Si](C)(C)C#Cc1ccc(CO)cc1
InChIKey: WBNXRSFSSANBSA-UHFFFAOYSA-N
Molecular formula: C12H16OSi
Average molar mass: 204.34 g/mol
Monoisotopic mass: 204.09704166

Names & identifiers

Preferred name: 4-(Trimethylsilylethynyl)benzyl alcohol
IUPAC: [4-(2-trimethylsilylethynyl)phenyl]methanol
English name: 4-(Trimethylsilylethynyl)benzyl alcohol
Molecular formula: C12H16OSi
Molecular weight: 204.34

Names & synonyms

275386-60-24-(Trimethylsilylethynyl)benzyl alcoholDTXSID50459786RefChem:289572DTXCID00410605(4-((Trimethylsilyl)ethynyl)phenyl)methanol[4-(2-trimethylsilylethynyl)phenyl]methanolMFCD08457640Benzenemethanol, 4-[2-(trimethylsilyl)ethynyl]-4-[2-(Trimethylsilyl)ethynyl]benzenemethanolC12H16OSi[4-[(Trimethylsilyl)ethynyl]phenyl]methanol

Show more names

4-(Trimethylsilylethynyl)benzyl alcohol 97%4-((2-Trimethylsilyl)ethynyl)benzyl alcohol[4-(2-Trimethylsilylethynyl)Phenyl] Methanol(4-((Trimethylsilyl)ethynyl)phenyl)methanol - [T56112]

{4-[(Trimethylsilyl)ethynyl]phenyl}methanolBenzenemethanol, 4-[(trimethylsilyl)ethynyl]-SCHEMBL1710488ALA38660(4-trimethylsilylethynylphenyl)methanolAKOS015890028AC-7565DS-5380

Database identifiers

CAS: 275386-60-2
PubChem CID: 11241165
DTXSID: DTXSID50459786
Nikkaji: J3.525.975I

Properties

Computed structural properties

Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 232

Physicochemical properties

Melting point: 68 · 68-72 °C
Boiling point: 274.6 · 274.6±32.0 °C(Predicted)
Density: 0.99 · 0.99±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: solid
pka: 14.46 · 14.46±0.10(Predicted)
Appearance: Light brown to brown Solid
InChI: 1S/C12H16OSi/c1-14(2,3)9-8-11-4-6-12(10-13)7-5-11/h4-7,13H,10H2,1-3H3
InChIKey: WBNXRSFSSANBSA-UHFFFAOYSA-N
SMILES: C[Si](C)(C)C#Cc1ccc(CO)cc1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety data

wgk: 3
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H302
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Downstream products

{2-[2-(trimethylsilyl)ethynyl]phenyl}methanol 4-Ethynylbenzyl alcohol 97

Suppliers47 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海药森生物科技有限公司18916117619 18916117619

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]

Related reactions

3 records

New reaction record

HRID 2405644As productuspto-grants-2014_08

HRID 2405645As reactantuspto-grants-2014_08

HRID 2405663As productuspto-grants-2014_08

Linked notes

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