(Trimethylsilyl)methyl isocyanide
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Basic information
- CAS
30718-17-3- Standard SMILES
[C-]#[N+]C[Si](C)(C)C- InChIKey
OLSTVZKPVGMQKB-UHFFFAOYSA-N- Molecular formula
- C5H11NSi
- Average molar mass
- 113.23 g/mol
- Monoisotopic mass
- 113.06607589
Names & identifiers
- Preferred name
- (Trimethylsilyl)methyl isocyanide
- IUPAC
- isocyanomethyl(trimethyl)silane
- English name
- TRIMETHYLSILYLMETHYL ISOCYANIDE
- Molecular formula
- C5H11NSi
- Molecular weight
- 113.23
Names & synonyms
(Trimethylsilyl)methyl isocyanide30718-17-3DTXSID70332320RefChem:211258DTXCID60283413621-384-1isocyanomethyl(trimethyl)silane(Isocyanomethyl)trimethylsilaneSilane, (isocyanomethyl)trimethyl-trimethylsilyl methylisocyanideSCHEMBL377196(trimethylsilyl)methyl-isocyanide
Show more names
TRIMETHYLSILYLMETHYL ISOCYANIDETRIMETHYLSILYLMETHYL ISOCYANIDE1(Trimethylsilyl)methyl isocyanide,(Isocyanomethyl)trimethylsilane
(Isocyanomethyl)tri(methyl)silaneOLSTVZKPVGMQKB-UHFFFAOYSA-NMFCD00043056AKOS015904485DB-362471
Database identifiers
- CAS
30718-17-3- PubChem CID
- 450280
- DTXSID
DTXSID70332320- EC Number
- 621-384-1
- Nikkaji
- J464.528F
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 92.4
Physicochemical properties
- Boiling point
- 52 · 52-53 °C35 mm Hg(lit.)
- Density
- 0.803 g/mL · 0.803 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.416(lit.)
- Flash point
- 82 °F · 82 °F
- storage temp.
- -20 °C · -20°C
- form
- liquid
- BRN
- 3930556 · 3930556
- InChI
- 1S/C5H11NSi/c1-6-5-7(2,3)4/h5H2,2-4H3
- InChIKey
- OLSTVZKPVGMQKB-UHFFFAOYSA-N
- SMILES
- C[Si](C)(C)C[N+]#[C-]
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS06
- Signal word
- Danger
- Hazard statements
- 225 · H225-H301+H311+H331
- Precautionary statements
- 210 · P210-P233-P280-P301+P310-P303+P361+P353-P304+P340+P311
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
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P321, P330, P361+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- F
- 10-21
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- risk_code
- 11-23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06
- hazard_code
- F,T
- safety_code
- 16-36/37/39-45
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H225-H301+H311+H331
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2
Chemistry & industry
Applications
Uses(Trimethylsilyl)methyl isocyanide may be used in the preparation of isocyanomethylenetriphenylphosphorane.
General DescriptionSynthesis of (trimethylsilyl)methyl isocyanide and its reaction with protic nucleophiles has been reported. An improved preparation of (trimethylsilyl)methyl isocyanide is reported. Reaction of (trimethylsilyl)methyl isocyanide with (η2-formaldehyde)zirconocene complex is reported to yield insertion products.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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