4-(Trimethylsilyl)-3-butyn-2-one

• CAS: 5930-98-3
• Catalog Number: ACM5930983
• Category: Main Products
• Molecular Weight: 140.26
• Molecular Formula: (CH3)3SiC≡CCOCH3
• Synonyms: 4-Trimethylsilylbut-3-Yn-2-One6-Methoxy-2,4-Dimethyl-2,3-Dihydrofuro[3,2-C]Quiline4-(Trimethysilyl)-3-Butyn-2-One
• IUPAC Name: 4-trimethylsilylbut-3-yn-2-one
• Canonical SMILES: CC(=O)C#C[Si](C)(C)C
• InChI Key: NQEZDDPEJMKMOS-UHFFFAOYSA-N
• Boiling Point: 156 °C
• Flash Point: 28 °C
• Density: 0.838 g/mL
• Appearance: Colorless to Light yellow to Light orange clear liquid
• Storage: Flammables area
• Exact Mass: 140.06600
• Hazard Statements: H315 : Causes skin irritation.; H319 : Causes serious eye irritation.; H226 : Flammable liquid and vapour.
• MDL Number: MFCD00190212
• Precautionary Statements: P210 : Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.; P264 : Wash skin thoroughly after handling.; P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.; P370 + P378 : In case of fire: Use dry sand, dry chemical or alcohol-resistant foam to extinguish.; P337 + P313 : If eye irritation persists: Get medical advice/ attention.; P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water.
• PubChem ID: 172088924
• Refractive Index: 1.44-1.442
• RIDADR: UN 1993 / PGIII
• Safety Description: S16-S26-S37/39
• Signal Word: Warning
• Specific Gravity: 0.85
• Symbol: GHS02
• WGK Germany: 3

Custom Reviews

August 20, 2023

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An asymmetric synthetic material
As a drug or drug intermediate, 4-(trimethylsilyl)-3-butyn-2-one can bring stronger efficacy and less toxicity to drugs.

Custom Q&A

What is the molecular formula of 4-(Trimethylsilyl)-3-butyn-2-one?

The molecular formula of 4-(Trimethylsilyl)-3-butyn-2-one is C7H12OSi.

When was 4-(Trimethylsilyl)-3-butyn-2-one created in PubChem?

4-(Trimethylsilyl)-3-butyn-2-one was created in PubChem on July 19, 2005.

What is the IUPAC Name of 4-(Trimethylsilyl)-3-butyn-2-one?

The IUPAC Name of 4-(Trimethylsilyl)-3-butyn-2-one is 4-trimethylsilylbut-3-yn-2-one.

What is the InChIKey of 4-(Trimethylsilyl)-3-butyn-2-one?

The InChIKey of 4-(Trimethylsilyl)-3-butyn-2-one is NQEZDDPEJMKMOS-UHFFFAOYSA-N.

What is the molecular weight of 4-(Trimethylsilyl)-3-butyn-2-one?

The molecular weight of 4-(Trimethylsilyl)-3-butyn-2-one is 140.25 g/mol.

How many hydrogen bond acceptor counts are there in 4-(Trimethylsilyl)-3-butyn-2-one?

There is 1 hydrogen bond acceptor count in 4-(Trimethylsilyl)-3-butyn-2-one.

What is the exact mass of 4-(Trimethylsilyl)-3-butyn-2-one?

The exact mass of 4-(Trimethylsilyl)-3-butyn-2-one is 140.065741536 g/mol.

What is the topological polar surface area of 4-(Trimethylsilyl)-3-butyn-2-one?

The topological polar surface area of 4-(Trimethylsilyl)-3-butyn-2-one is 17.1Ų.

How many heavy atoms are present in 4-(Trimethylsilyl)-3-butyn-2-one?

There are 9 heavy atoms in 4-(Trimethylsilyl)-3-butyn-2-one.

Is 4-(Trimethylsilyl)-3-butyn-2-one a canonicalized compound in PubChem?

Yes, 4-(Trimethylsilyl)-3-butyn-2-one is a canonicalized compound in PubChem.