Substance

ID:723203

3-Chloro-3-methyl-1-butyne

Names and Identifiers
IUPAC Traditional name
1-butyne, 3-chloro-3-methyl-
IUPAC name
3-chloro-3-methylbut-1-yne
Synonyms
3-Chloro-3-methyl-1-butyne3-氯-3-甲基-1-丁炔1,1-Dimethylpropargyl chloride
Registration numbers
EC Number
MDL Number
CAS Number
Properties
Safety Information
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A
GHS Hazard statements
H225-H315-H319-H335
Hazard Class
3
Packing Group
II
GHS Pictograms
GHS07
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
GHS02
Flammable gases, category 1
Flammable aerosols, categories 1,2
Flammable liquids, categories 1,2,3
Self-reactive substances and mixtures, Types B,C,D,E,F
Pyrophoric liquids, category 1
Pyrophoric solids, category 1
Self-heating substances and mixtures
Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3
Organic peroxides, Types B,C,D,E,F
European Hazard Symbols
Irritant Irritant (Xi)
Flammable Flammable (F)
Safety Statements
16-26-29-33-37
UN Number
UN1993
TSCA Listed
Risk Statements
11-36/37/38
Physical Property
Density
0.913
Melting Point
-61°C
Boiling Point
73-75°C
Refractive Index
1.4178
Flash Point
4°C(40°F)
Product Information
Purity
95%
Molecule Details
No Data Available
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Molecular Spectra
No Data Available
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References
• Reagent for an improved 2-step introduction of the 1,1-dimethylallyl (DMA) ester protecting group for carboxylic acids. Reaction with the acid in the presence of copper(I) iodide and cesium carbonate in DMF affords the 1,1-dimethylpropargyl ester. Hydrogenation with Pd/barium sulfate/quinoline affords the 1,1-dimethylallyl ester. The DMA group is resistant to nucleophilic attack, but readily cleaved under non-acidic conditions with Pd(0), which is an advantage compared with the tert-butyl ester in solid-phase peptide synthesis: Org. Lett., 7, 1473 (2005).