Allyloxy-tert-butyldimethylsilane
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Basic information
- CAS
105875-75-0- Standard SMILES
C=CCO[Si](C)(C)C(C)(C)C- InChIKey
DHWVPYLVNAKSEU-UHFFFAOYSA-N- Molecular formula
- C9H20OSi
- Average molar mass
- 172.34 g/mol
- Monoisotopic mass
- 172.12834179
Names & identifiers
- Preferred name
- Allyloxy-tert-butyldimethylsilane
- IUPAC
- tert-butyl-dimethyl-prop-2-enoxysilane
- English name
- ALLYLOXY-T-BUTYLDIMETHYLSILANE
- Molecular formula
- C9H20OSi
- Molecular weight
- 172.34
Names & synonyms
Allyloxy-tert-butyldimethylsilaneDTXSID80341726RefChem:554921DTXCID40292806627-794-7105875-75-085807-85-8Allyloxy-t-butyldimethylsilane(Allyloxy)(tert-butyl)dimethylsilaneallyloxy(tert-butyl)dimethylsilaneALLYL(TERT-BUTYLDIMETHY1)SILYLETHERtert-butyldimethyl(prop-2-en-1-yloxy)silane
Show more names
CAS:105875-75-01-(tert-Butyldimethylsilyl)t-Butyl Dimethyl AllyloxysilaneALLYLOXY-TERT-BUTYLDIMETHYLSILANE 97%1-(tert-ButyldiMethylsilyl)prop-2-en-1-ol1-(tert-Butyldimethylsilyl)-2-propen-1-ol1-[(1,1-Dimethylethyl)dimethylsilyl]-2-propen-1-ol
tert-butyl-dimethyl-prop-2-enoxysilaneMFCD002393559-[2-carboxy-4-hydroxy-10-oxo-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-9H-anthracene-2-carboxylic aallyloxy-tert-butyl-dimethyl-silaneSCHEMBL290786(allyloxy)-t-butyldimethylsilaneAllyl alcohol, TBDMS derivative(allyloxy)-tert-butyldimethylsilane
Database identifiers
- CAS
105875-75-0、85807-85-8- PubChem CID
- 575346
- DTXSID
DTXSID80341726- EC Number
- 187-821-9、627-794-7
- Nikkaji
- J911.716D
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
SpringerMaterials Properties29Si nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 120 °C50 · 120 °C50 mm Hg(lit.)
- Density
- 0.811 g/mL · 0.811 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.421(lit.)
- Flash point
- 91 °F · 91 °F
- storage temp.
- 2 · 2-8°C
- pka
- 14.82 · 14.82±0.20(Predicted)
- Water Solubility
- Sparingly soluble in water (0.50 g/L at 25°C).
- InChI
- 1S/C9H20OSi/c1-7-8-10-11(5,6)9(2,3)4/h7H,1,8H2,2-6H3
- InChIKey
- DHWVPYLVNAKSEU-UHFFFAOYSA-N
- SMILES
- CC(C)(C)[Si](C)(C)OCC=C
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- No
- ridadr
- UN 1993 3/PG 3
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 16
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H226
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Flam. Liq. 3
- Precautionary statements
- P210-P240-P241-P280a-P303+P361+P353-P501a
Chemistry & industry
Applications
UsesAllyloxy-tert-butyldimethylsilane is used as a pharmaceutical intermediate.
Related reactions
2 records
Compound notes
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