CAS 1111-97-3

3-Chloro-3-methyl-1-butyne

Description:

3-Chloro-3-methyl-1-butyne is an organic compound characterized by its alkyne functional group, specifically a terminal alkyne due to the presence of a triple bond between carbon atoms. Its molecular formula is C5H9Cl, indicating it contains five carbon atoms, nine hydrogen atoms, and one chlorine atom. The compound features a chlorine substituent at the third carbon position and a methyl group also at the same carbon, contributing to its unique structure. 3-Chloro-3-methyl-1-butyne is typically a colorless liquid with a pungent odor, and it is known for its reactivity due to the presence of the triple bond, which can participate in various chemical reactions, including addition reactions. It is used in organic synthesis and may serve as an intermediate in the production of other chemical compounds. Safety precautions are necessary when handling this substance, as it may be harmful if inhaled or absorbed through the skin. Proper storage and handling in a well-ventilated area are recommended to mitigate any potential hazards.

Formula: C₅H₇Cl

InChI: InChI=1S/C5H7Cl/c1-4-5(2,3)6/h1H,2-3H3

InChI key: InChIKey=QSILYWCNPOLKPN-UHFFFAOYSA-N

SMILES: C(C#C)(C)(C)Cl

Synonyms:

• 1-Butyne, 3-chloro-3-methyl-
• 2-Chloro-2-methyl-3-butyne
• 2-Methyl-2-chloro-3-butyne
• 2-Methyl-3-butyn-2-yl chloride
• 3-Chloro-3-methylbut-1-yne
• 3-Chloro-3-methylbutyne
• 3-Methyl-1-butyn-3-yl chloride
• 3-Methyl-3-chloro-1-butyne
• 3-Methyl-3-chlorobutyne
• Ai3-25133
• Nsc 16173
• α,α-Dimethylpropargyl chloride
• 3-Chloro-3-methyl-1-butyne

3-Chloro-3-methyl-1-butyne, 95%

CAS: 1111-97-3

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₅H₇Cl

Purity: 95%

Color and Shape: Clear colorless to yellow, Liquid

Molecular weight: 102.56

Ref: 02-B25252

3-Chloro-3-methyl-1-butyne

CAS: 1111-97-3

Formula: C₅H₇Cl

Purity: 97%

Color and Shape: Liquid

Molecular weight: 102.5621

Ref: IN-DA0033NK

3-Chloro-3-methylbut-1-yne

CAS: 1111-97-3

3-Chloro-3-methylbut-1-yne

Purity: 99%

Molecular weight: 102.56g/mol

Ref: 54-OR13593

3-Chloro-3-methyl-1-butyne

CAS: 1111-97-3

Formula: C₅H₇Cl

Purity: 97%

Color and Shape: Liquid, Clear

Molecular weight: 102.56

Ref: 10-F009094

3-Chloro-3-methyl-1-butyne

Controlled Product

CAS: 1111-97-3

Applications 3-Chloro-3-methyl-1-butyne is a propargyl chloride used to alkylate methanol, ethanol, ammonia and amines to the corresponding propargylic ether and amines.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Hennion, G.F. et al.: J. Org. Chem., 34, 1319 (1969); Joshi, R. et al.: Tetrahedron, 49, 2353 (1993);

Formula: C₅H₇Cl

Color and Shape: Neat

Molecular weight: 102.56

Ref: TR-C369090