2-Tert-butyliodanuidylsulfanyl-2-methylpropane
Basic information
- CAS
30736-07-3- Standard SMILES
CC(C)(C)S[I-]C(C)(C)C- InChIKey
MDFYNXFLLPGUBM-UHFFFAOYSA-N- Molecular formula
- C8H18IS-
- Average molar mass
- 273.2 g/mol
- Monoisotopic mass
- 273.01739
Names & identifiers
- Preferred name
- 2-Tert-butyliodanuidylsulfanyl-2-methylpropane
- IUPAC
- 2-tert-butyliodanuidylsulfanyl-2-methylpropane
- English name
- Di-tert-butylsilane
- Molecular formula
- C8H20Si
- Molecular weight
- 144.33
Names & synonyms
2-tert-butyliodanuidylsulfanyl-2-methylpropaneDI-T-BUTYL SILANEDi-tert-butylsilaneDitertiarybutylsilaneDi-tert-Butylsilane>Di-tert-butylsilane 97%Di-tert-butylsilane 97%Di-tert-butylsilanebis(1,1-dimethylethyl)-silanSilane, bis(1,1-dimethylethyl)-
Database identifiers
- CAS
30736-07-3- PubChem CID
- 6410752
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- -1
- Complexity
- 96.8
Physicochemical properties
- Melting point
- -38 °C · -38 °C
- Boiling point
- 129 °C · 129 °C
- Density
- 0.73 · 0.73
- refractive index
- 1.42 · 1.42
- Flash point
- -2 °C · -2 °C
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 0.74 · 0.74
- Hydrolytic Sensitivity
- 3 · 3: reacts with aqueous base
- InChI
- 1S/C8H20Si/c1-7(2,3)9-8(4,5)6/h9H2,1-6H3
- InChIKey
- ZLKSBZCITVUTSN-UHFFFAOYSA-N
- SMILES
- [H][Si]([H])(C(C)(C)C)C(C)(C)C
- CAS DataBase Reference
- 30736 · 30736-07-3(CAS DataBase Reference)
- EPA Substance Registry System
- Silane, bis(1,1-dimethylethyl)- (30736-07-3)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
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, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 1
- hs_code
- 2931.90.9010
- risk_code
- 11
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- hazard_code
- F
- safety_code
- 16-33
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H225
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Flam. Liq. 2
- Precautionary statements
- P210
Chemistry & industry
Applications
UsesDi-tert-butylsilane can be used as a reagent to synthesize: 1,1-di-tert-butyl-N-phenylsilanamine by dehydrogenative coupling with aniline in the presence of supported gold catalyst. Benzyloxy di-tert-butylsilane by dehydrocoupling of benzyl alcohol using NaOH as a catalyst. Di-tert-butyl(3-cyclohexylprop-1-yn-1-yl)silane by silylation reaction with 2-propyn-1-ylcyclohexane using alkali metal hydroxide as a catalyst.
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Compound notes
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