Skip to Content
Merck
All Photos(1)

Key Documents

301345

Sigma-Aldrich

3-Chloro-3-methyl-1-butyne

97%

Synonym(s):

α,α-Dimethylpropargyl chloride, 2-Chloro-2-methyl-3-butyne, 2-Methyl-2-chloro-3-butyne, 2-Methyl-3-butyn-2-yl chloride, 3-Chloro-3-methyl-1-butyne, 3-Chloro-3-methylbutyne, 3-Methyl-1-butyn-3-yl chloride, 3-Methyl-3-chloro-1-butyne, 3-Methyl-3-chlorobutyne

Sign Into View Organizational & Contract Pricing


About This Item

Linear Formula:
ClC(CH3)2C≡CH
CAS Number:
Molecular Weight:
102.56
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

97%

form

liquid

refractive index

n20/D 1.418 (lit.)

bp

73-75 °C (lit.)

mp

−61 °C (lit.)

density

0.913 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

CC(C)(Cl)C#C

InChI

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

InChI key

QSILYWCNPOLKPN-UHFFFAOYSA-N

Application

3-Chloro-3-methyl-1-butyne was used in preparation of:
  • series of benzo[b]pyrano[2,3-i]xanthen-6-ones and benzo[b]pyrano[3,2-h]xanthen-7-ones
  • 6-hydroxy-3,3-dimethyl-3H,7H-benzo[a]pyrano[3,2-h]xanthen-7-one
  • 5-hydroxy-2,2-dimethyl-2H,6H-benzo[a]pyrano[2,3-i]xanthen-6-one
  • 3,3-dimethyl-3Hbenzofuro[3,2-f][1]-benzopyran

Pictograms

FlameExclamation mark

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

39.2 °F - closed cup

Flash Point(C)

4 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service