4-[(Trimethylsilyl)Ethynyl]Aniline

• CAS: 75867-39-9
• Catalog Number: ACM75867399
• Category: Alkynes
• Molecular Weight: 189.33 g/mol
• Molecular Formula: C11H15NSi
• Synonyms: 1-amino-4-trimethylsilylethynylbenzene; 4-((trimethylsilyl)ethynyl)benzenamine; 4-[2-(trimethylsilyl)ethynyl]aniline; 4-(2-(trimethylsilyl)ethynyl)benzenamine; 4-[(Trimethylsilyl)ethynyl]aniline; 4-dimethylsilanylethynylphenylamine
• IUPAC Name: 4-(2-trimethylsilylethynyl)aniline
• Canonical SMILES: C[Si](C)(C)C#CC1=CC=C(C=C1)N
• InChI Key: CHTZIDLXGXGNMA-UHFFFAOYSA-N
• Boiling Point: 258.873ºC at 760 mmHg
• Melting Point: 91 °C
• Flash Point: 110.363ºC
• Density: 0.973g/cm³
• Appearance: White to Brown powder to crystal
• Storage: Store under inert gas
• Exact Mass: 189.09700
• Hazard Statements: H315 : Causes skin irritation.; H319 : Causes serious eye irritation.; H413 : May cause long lasting harmful effects to aquatic life.
• MDL Number: MFCD03695479
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.; P273 : Avoid release to the environment.; P264 : Wash skin thoroughly after handling.; P280 : Wear protective gloves/ eye protection/ face protection.; P337 + P313 : If eye irritation persists: Get medical advice/ attention.; P332 + P313 : If skin irritation °Ccurs: Get medical advice/ attention.
• RIDADR: NONH for all modes of transport
• Safety Description: 26
• Signal Word: Warning
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 4-[(Trimethylsilyl)ethynyl]aniline?

The molecular formula is C11H15NSi.

What is the molecular weight of 4-[(Trimethylsilyl)ethynyl]aniline?

The molecular weight is 189.33 g/mol.

What is the CAS number of 4-[(Trimethylsilyl)ethynyl]aniline?

The CAS number is 75867-39-9.

What is the IUPAC name of 4-[(Trimethylsilyl)ethynyl]aniline?

The IUPAC name is 4-(2-trimethylsilylethynyl)aniline.

What is the InChI of 4-[(Trimethylsilyl)ethynyl]aniline?

The InChI is InChI=1S/C11H15NSi/c1-13(2,3)9-8-10-4-6-11(12)7-5-10/h4-7H,12H2,1-3H3.

How many hydrogen bond donor groups are present in 4-[(Trimethylsilyl)ethynyl]aniline?

There is 1 hydrogen bond donor group present.

How many hydrogen bond acceptor groups are present in 4-[(Trimethylsilyl)ethynyl]aniline?

There is 1 hydrogen bond acceptor group present.

How many rotatable bonds are present in 4-[(Trimethylsilyl)ethynyl]aniline?

There are 2 rotatable bonds present.

What is the exact mass of 4-[(Trimethylsilyl)ethynyl]aniline?

The exact mass is 189.097376017 g/mol.

Is 4-[(Trimethylsilyl)ethynyl]aniline a canonicalized compound?

Yes, it is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 540-37-4
• 1066-54-2

• 75867-39-9

Reference: [1]Erdelyi; Gogoll
[Journal of Organic Chemistry, 2001, vol. 66, # 12, p. 4165 - 4169]

Downstream Synthesis Route 1

• 75867-39-9

• 14235-81-5

Reference: [1] Organometallics, 2014, vol. 33, # 18, p. 4947 - 4963

Downstream Synthesis Route 2

• 75867-39-9

• 134856-58-9

Reference: [1] Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2014, vol. 133, p. 229 - 240

Downstream Synthesis Route 3

• 75867-39-9

• 630127-51-4

Reference: [1] Chemistry - A European Journal, 2014, vol. 20, # 22, p. 6608 - 6612

Downstream Synthesis Route 4

• 75867-39-9

• 14235-81-5

Reference: [1]Marqués-González, Santiago; Parthey, Matthias; Yufit, Dmitry S.; Howard, Judith A.K.; Kaupp, Martin; Low, Paul J.
[Organometallics, 2014, vol. 33, # 18, p. 4947 - 4963]

Downstream Synthesis Route 5

• 75867-39-9

• 134856-58-9

Reference: [1]Niu, Qingfen; Sun, Hongjian; Li, Xiaoyan
[Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2014, vol. 133, p. 229 - 240]

* For details of the synthesis route, please refer to the original source to ensure accuracy.