Basic information
- CAS
40230-91-9- Standard SMILES
COc1ccccc1C#C[Si](C)(C)C- InChIKey
HNAJPTRCGNBCPB-UHFFFAOYSA-N- Molecular formula
- C12H16OSi
- Average molar mass
- 204.34 g/mol
- Monoisotopic mass
- 204.09704166
Names & identifiers
- Preferred name
- ((2-Methoxyphenyl)ethynyl)triMethylsilane
- IUPAC
- 2-(2-methoxyphenyl)ethynyl-trimethylsilane
- English name
- 2-(TRIMETHYLSILYLETHYNYL)ANISOLE 98
- Molecular formula
- C12H16OSi
- Molecular weight
- 204.34
Names & synonyms
40230-91-9((2-Methoxyphenyl)ethynyl)triMethylsilane2-(2-methoxyphenyl)ethynyl-trimethylsilaneMFCD040399882-(TRIMETHYLSILYLETHYNYL)ANISOLE982-(TRIMETHYLSILYLETHYNYL)ANISOLE98;3-(TRIMETHYLSILYLETHYNYL)ANISOLE, 98%;2-Methoxy-1-(trimethylsilylethynyl)benzene;[(2-Methoxyphenyl)ethynyl]trimethylsilane;(2-(2-methoxyphenyl)ethynyl)trimethylsilane(2-methoxy-phenylethynyl)-trimethyl-silane2-(2-methoxyphenyl)ethynyl-trimethyl-silaneSCHEMBL852452SCHEMBL29636414DTXSID00408709HNAJPTRCGNBCPB-UHFFFAOYSA-N
Show more names
2-(TRIMETHYLSILYLETHYNYL)ANISOLE 983-(TRIMETHYLSILYLETHYNYL)ANISOLE, 98%[(2-Methoxyphenyl)ethynyl]trimethylsilane2-Methoxy-1-(trimethylsilylethynyl)benzene(2-(2-methoxyphenyl)ethynyl)trimethylsilaneBenzene, 1-methoxy-2-[2-(trimethylsilyl)ethynyl]-
methoxyphenyl(trimethylsilyl)acetyleneAKOS015889058(2-methoxy-phenylethynyl)-trimethylsilane2-[(Trimethylsilyl)ethynyl]anisole, 98%[(2-Methoxyphenyl)ethynyl](trimethyl)silane[(2-Methoxyphenyl)ethynyl]tri(methyl)silane1-Methoxy-2-[2-(trimethylsilyl)ethynyl]benzene
Properties
Computed structural properties
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Boiling point
- 247 · 247-249 °C(lit.)
- Density
- 0.958 g/mL · 0.958 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.5420(lit.)
- Flash point
- 230 °F · >230 °F
- InChI
- 1S/C12H16OSi/c1-13-12-8-6-5-7-11(12)9-10-14(2,3)4/h5-8H,1-4H3
- InChIKey
- HNAJPTRCGNBCPB-UHFFFAOYSA-N
- SMILES
- COc1ccccc1C#C[Si](C)(C)C
- UNSPSC Code
- 12352103 · 12352103
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- Safety Statements
- 23 · 23-24/25
- WGK Germany
- 3 · 3
- Storage Class
- 10 · 10 - Combustible liquids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- safety_code
- 23-24/25
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Suppliers8 total
Aladdin Scientific[email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
上海熙誉化学科技有限公司021-15000143735 15221126179 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
4 records
Compound notes
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