CAS 13361-64-3 Trimethyl-2-propynylsilane (HCID 83378)

Names & identifiers

Preferred name: Trimethyl-2-propynylsilane
IUPAC: trimethyl(prop-2-ynyl)silane
English name: PROPARGYLTRIMETHYLSILANE
Molecular formula: C6H12Si
Molecular weight: 112.25

Names & synonyms

Trimethyl-2-propynylsilaneSilane, trimethyl-2-propyn-1-yl-RefChem:89979213361-64-3PROPARGYLTRIMETHYLSILANESilane, trimethyl-2-propynyl-trimethyl(prop-2-ynyl)silanetrimethyl(prop-2-yn-1-yl)silaneSilane,trimethyl-2-propyn-1-yl-Propargyltrimethylsilane, tech gradeMFCD00042922L8BVJ8DGN6

Show more names

3-(TRIMETHYLSILYL)PROPYNE2-PROPYNYL-TRIMETHYLSILANE3-TRIMETHYLSILYL-1-PROPYNEtrimethyl-2-propynyl-silanPropargyltrimethylsilanestab1-(Trimethylsilyl)-2-propyne

C6H12SiTrimethyl(propargyl)silaneTrimethyl(2-propynyl)silane2-Propynyltrimethylsilane3-(trimethylsilyl)-1-propyneEINECS 236-427-6trimethylpropargylsilanepropargyl trimethylsilane

Database identifiers

CAS: 13361-64-3
PubChem CID: 83378
DTXSID: DTXSID6065426
UNII: L8BVJ8DGN6
EC Number: 236-427-6
Nikkaji: J213.873E

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 88.5

Physicochemical properties

Melting point: 148 · 148-151 °C(Solv: ethyl ether (60-29-7))
Boiling point: 91 · 91-93 °C (lit.)
Density: 0.753 g/mL · 0.753 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.413(lit.)
Flash point: 13 °F · 13 °F
storage temp.: -20 °C · -20°C
solubility: 2 Cl2 · sol ether, THF, CH2Cl2.
form: Liquid
color: Clear yellow
BRN: 2036316 · 2036316
InChI: InChI=1S/C6H12Si/c1-5-6-7(2,3)4/h1H,6H2,2-4H3
InChIKey: ULYLMHUHFUQKOE-UHFFFAOYSA-N
SMILES: [Si](C)(C)(C)CC#C
CAS DataBase Reference: 13361 · 13361-64-3
FDA UNII: 8 BVJ8DGN6 · L8BVJ8DGN6
EPA Substance Registry System: -2 · Silane, trimethyl-2-propynyl- (13361-64-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 225 · H225-H315-H319-H335
Precautionary statements: 210 · P210-P302+P352-P305+P351+P338
target organs: Respiratory system
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
RIDADR: 1993 · UN 1993 3/PG 2
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 3.1 · 3.1
PackingGroup: II
HS Code: 29310099 · 29310099
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

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 40 reports by companies from 3 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

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
hs_code: 29310099
risk_code: 11-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS07
hazard_code: F,Xi
safety_code: 16-26-36
hazard_class: 3.1
Storage Class: 3 - Flammable liquids
packing_group: II
target organs: Respiratory system
Hazard statements: H225-H315-H319-H335
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationSilane, trimethyl-2-propyn-1-yl-: INACTIVE

Applications · 3 items

Uses3-Trimethylsilyl-1-propyne is used as propargylation agent; allenylation agent; can give addition reactions on the triple bond. It takes part in the following reactions: Propargylation Reactions, Alkylation Reactions, Reactions with Epoxides,Reactions with Aldehydes and Ketones, Reactions with Chloroformates, Reactions with Polyoxymethylene and Amines, Allenylation Reactions, Substitution Reactions, Reactions with Acetals and Hemiacetals, Reactions with Aldehydes and Ketones, Reactions with in situ Generated Iminium and α-Acyl Iminium Ions, Reactions with Acid Chlorides, Reactions with Conjugated Heteroatomic Systems, Reactions of the Triple Bond etc.

UsesTrimethyl(propargyl)silane is suitable for use in the synthesis of diverse end-functionalized (ω-carboxyl, ω-hydroxy, ω-methyl-vinyl, ω-trimethylsilane, and ω-glycidyl-ether) via ′′click′′ reaction. It may be used in the synthesis of γ-allenyl-GABA (γ-aminobutyric acid), via Lewis acid mediated reaction with ω-ethoxy lactams.

General DescriptionTrimethyl(propargyl)silane (2-Propynyl-trimethylsilane) is a clear colorless liquid and contains 500ppm of butylated hydroxytoluene (BHT) as stabilizer. It undergoes GaCl3-catalyzed dehydrogenation reaction with aldimines to afford 4-methylquinoline.