3-(Trimethylsilylethynyl)pyridine

HCID 4100857CAS 80673-00-3

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Basic information

Standard SMILES: C[Si](C)(C)C#Cc1cccnc1
InChIKey: MTMBLPOPETZZRX-UHFFFAOYSA-N
Molecular formula: C10H13NSi
Average molar mass: 175.3 g/mol
Monoisotopic mass: 175.08172595

Names & identifiers

Preferred name: 3-(Trimethylsilylethynyl)pyridine
IUPAC: trimethyl(2-pyridin-3-ylethynyl)silane
English name: 3-(Trimethylsilylethynyl)pyridine
Molecular formula: C10H13NSi
Molecular weight: 175.3

Names & synonyms

80673-00-33-(Trimethylsilylethynyl)pyridineDTXSID30399318RefChem:496467DTXCID80350176627-532-13-((Trimethylsilyl)ethynyl)pyridine3-[(Trimethylsilyl)ethynyl]pyridine3-[2-(trimethylsilyl)ethynyl]pyridineMFCD01863744trimethyl(2-pyridin-3-ylethynyl)silane(3-Pyridylethynyl)trimethylsilane

Show more names

DK9203-(TRIMETHYLSILYLETHYNYL)PYRI3-TRIMETHYLSILANYLETHYNYL-PYRIDINE3-(Trimethlysilyl-ethynyl)pyridine3-[(T 3-[(Trimethylsilyl)ethynyl]pyr

3-trimethylsilylethynylpyridine1-(3-Pyridyl)-2-trimethylsilylacetylenetrimethyl-[2-(3-pyridyl)ethynyl]silaneFT-0656304A839962SCHEMBL2922495SCHEMBL6497454SCHEMBL23501596

Database identifiers

CAS: 80673-00-3
PubChem CID: 4100857
DTXSID: DTXSID30399318
EC Number: 627-532-1
Nikkaji: J1.543.340J

Properties

Computed structural properties

Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 203

Physicochemical properties

Boiling point: 229 °C · 229 °C(lit.)
Density: 0.922 g/mL · 0.922 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.529(lit.)
Flash point: 202 °F · 202 °F
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
form: Liquid
pka: 4.78 · 4.78±0.12(Predicted)
color: Colorless to yellow
InChI: 1S/C10H13NSi/c1-12(2,3)8-6-10-5-4-7-11-9-10/h4-5,7,9H,1-3H3
InChIKey: MTMBLPOPETZZRX-UHFFFAOYSA-N
SMILES: C[Si](C)(C)C#Cc1cccnc1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HS Code: 29333990 · 29333990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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.