CAS 6224-91-5 1-(Trimethylsilyl)prop-1-yne (HCID 80363)

Names & identifiers

Preferred name: 1-(Trimethylsilyl)prop-1-yne
IUPAC: trimethyl(prop-1-ynyl)silane
English name: 1-(Trimethylsilyl)-1-propyne
Molecular formula: C6H12Si
Molecular weight: 112.25

Names & synonyms

1-(Trimethylsilyl)-1-propyne6224-91-51-(Trimethylsilyl)prop-1-yneTrimethyl-1-propyn-1-ylsilaneZQA6VF7W9R1-Methyl-2-trimethylsilylacetyleneEINECS 228-314-5DTXSID60211291RefChem:428853DTXCID60133782228-314-51-(Trimethylsilyl)propyne

Show more names

TRIMETHYL SILYL-1-PROPYNET 3728TIMTEC-BB SBB009046Tritrimethylmethylproyne1-(TRIMETYHLSILYL)PROPYNE

trimethyl(prop-1-yn-1-yl)silanetrimethyl(prop-1-ynyl)silane1-PropynyltrimethylsilaneSilane, trimethyl-1-propynyl-1-TMS-1-propyneMFCD00009271Trimethylsilylpropyne1-trimethylsilyl-1-propyne

Database identifiers

CAS: 6224-91-5
PubChem CID: 80363
DTXSID: DTXSID60211291
UNII: ZQA6VF7W9R
EC Number: 228-314-5
Nikkaji: J2.250.237I、J209.024D

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: 105

Experimental & physicochemical properties

SpringerMaterials Properties29Si nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: -69 °C · -69°C
Boiling point: 99 · 99-100 °C (lit.)
Density: 0.758 g/mL · 0.758 g/mL at 25 °C (lit.)
vapor density: 1 · >1 (vs air)
refractive index: 20 · n20/D 1.417(lit.)
Flash point: 25 °F · 25 °F
storage temp.: 2 · 2-8°C
solubility: Miscible with toluene.
form: Liquid
Specific Gravity: 0.758 · 0.758
color: Clear colorless
Hydrolytic Sensitivity: 4 · 4: no reaction with water under neutral conditions
BRN: 1071311 · 1071311
InChI: 1S/C6H12Si/c1-5-6-7(2,3)4/h1-4H3
InChIKey: DCGLONGLPGISNX-UHFFFAOYSA-N
SMILES: CC#C[Si](C)(C)C
CAS DataBase Reference: 6224 · 6224-91-5(CAS DataBase Reference)
FDA UNII: 6 VF7W9R · ZQA6VF7W9R
NIST Chemistry Reference: 1 · 1-(Trimethylsilyl)-1-propyne(6224-91-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02
Signal word: Danger
Hazard statements: 225 · H225
Precautionary statements: 210 · P210-P233-P240-P241-P242-P243
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: F,Xi
Risk Statements: 11 · 11-36/37/38
Safety Statements: 16 · 16-26-36-37/39
RIDADR: 1993 · UN 1993 3/PG 2
WGK Germany: 3 · 3
TSCA: Yes
HazardClass: 3 · 3
PackingGroup: II
HS Code: 29319090 · 29319090
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 · Flam. Liq. 2
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 · 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 50 reports by companies from 9 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: Yes
ridadr: UN 1993 3/PG 2
hs_code: 29319090
risk_code: 11-36/37/38
Signal word: Danger
Symbol(GHS): GHS02
hazard_code: F,Xi
safety_code: 16-26-36-37/39
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-P233-P240-P241-P242-P243

Chemistry & industry

Applications · 2 items

Uses1-(Trimethylsilyl)propyne is used in the synthesis of alkynyl silane derivative.

Uses1-Trimethylsilyl-1-propyne is employed in the preparation of alkynyl silane derivatives. It is also used to prepare highly substituted indenes using palladium-catalyzed carboannulation. Further, it plays an important role in the preparation of indenones through a rhodium-catalyzed reaction with 2-bromophenylboronic acids.