Basic information
- CAS
762-72-1- Standard SMILES
C=CC[Si](C)(C)C- InChIKey
HYWCXWRMUZYRPH-UHFFFAOYSA-N- Molecular formula
- C6H14Si
- Average molar mass
- 114.26 g/mol
- Monoisotopic mass
- 114.08647698
Overview
used to make allyl C-glycosylic compounds
Names & identifiers
- Preferred name
- Allyltrimethylsilane
- IUPAC
- trimethyl(prop-2-enyl)silane
- English name
- Allyltrimethylsilane
- Molecular formula
- C6H14Si
- Molecular weight
- 114.26
Names & synonyms
Show more names
Database identifiers
- CAS
762-72-1- PubChem CID
- 69808
- DTXSID
DTXSID5061089- UNII
- 8B84C337VF
- EC Number
- 212-104-5
- Nikkaji
- J129.396F
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 59.1
Experimental & physicochemical properties
Physicochemical properties
- Boiling point
- 84 · 84-88 °C (lit.)
- Density
- 0.719 g/mL · 0.719 g/mL at 25 °C (lit.)
- vapor pressure
- 82 hPa · 82hPa at 25℃
- refractive index
- 20 · n20/D 1.407(lit.)
- Flash point
- 45 °F · 45 °F
- storage temp.
- 2 · 2-8°C
- solubility
- freely sol all organic solvents.
- form
- Liquid
- Specific Gravity
- 0.72 · 0.72
- color
- Clear colorless
- Water Solubility
- insoluble
- Hydrolytic Sensitivity
- 2 · 2: reacts with aqueous acid
- BRN
- 906755 · 906755
- Stability
- Volatile
- InChI
- 1S/C6H14Si/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3
- InChIKey
- HYWCXWRMUZYRPH-UHFFFAOYSA-N
- SMILES
- C[Si](C)(C)CC=C
- LogP
- 4.64 at · 4.64 at 20℃
- CAS DataBase Reference
- 762 · 762-72-1(CAS DataBase Reference)
- FDA UNII
- 8 B84C337VF · 8B84C337VF
- NIST Chemistry Reference
- -2 · Silane, trimethyl-2-propenyl-(762-72-1)
- EPA Substance Registry System
- -2 · Silane, trimethyl-2-propenyl- (762-72-1)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H315
- Precautionary statements
- 210 · P210-P302+P352
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- F,Xi
- Risk Statements
- 11 · 11-36/37/38
- Safety Statements
- 16 · 16-26-36-23-33-7/9
- RIDADR
- 1993 · UN 1993 3/PG 2
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29310095 · 29310095
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Skin · Flam. Liq. 2Skin Irrit. 2
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 18-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/26053
Allyltrimethylsilane: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 2
- hs_code
- 29310095
- risk_code
- 11-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xi
- safety_code
- 16-26-36-23-33-7/9
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H225-H315
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Flam. Liq. 2Skin Irrit. 2
- Precautionary statements
- P210-P302+P352
Chemistry & industry
Uses & manufacturing
Applications
UsesAllyltrimethylsilane is a general reagent to introduce allyl groups across acid chlorides, aldehydes, ketones, iminium ions, enones, and for cross-coupling with other carbon electrophiles. It is used as a reagent in HosomiSakurai reaction.
Preparation methods
PreparationAllyltrimethylsilane is synthesized by the reaction of trimethylchlorosilane and allylmagnesium bromide.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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