3-Chloro-3-methyl-1-butyne

Basic Information

View in Editor

CAS Number

1111-97-3

Molecular Formula

C5H7Cl

Molecular Weight

102.56 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

−61 °C

Boiling Point

73-75 °C

Refractive Index

n20/D 1.418(lit.)

SMILES

View in Editor

CC(C)(C#C)Cl

InChI

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

InChIKey

QSILYWCNPOLKPN-UHFFFAOYSA-N

LogP

1.63700

Complexity

83.4

Safety Information

View Safety Information

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H332 Harmful if inhaled
Acute toxicity, inhalation

Hazard Class

Class 3 Class 3

Synonyms & References

English

1,1-Dimethylpropargyl chloride
3-chloro-3-methyl butyne
NSC16173
2-methyl-2-chloro-3-butyne
EINECS 214-188-9
3-Chloro-3-methylbut-1-yne
FS-4551
NSC 16173
3-methyl-3-chlorobut-1-yne
2-chloro-2-methyl butyne
3-chloro-3,3-dimethylpropyn
3-chloro-3-methyl-1 -butyne
AI3-25133
2-chloro-2-methyl-3-butyne
NS00023557
2-Methyl-3-butyn-2-yl chloride
3-chloro-3-methyl-butyne
MFCD00190221
1-Butyne, 3-chloro-3-methyl-
3-methyl-3-chlorobutyne
3-Chloro-3-methyl-but-1-yne
3-chloro-3-methyl-but-1-ine
SCHEMBL284084
NSC-16173
1111-97-3
3-chloro-3-methyl-1-butyn
EN300-96068
3-chloro-3-methylbutyne
3,3-chloro-3-methylbut-1-yne
AKOS000278712
3-Chloro-3-methyl-1-butyne, 97%

MDL Number

MFCD00190221

Customs Code

29032990

FAQ

What is 3-Chloro-3-methyl-1-butyne (CAS: 1111-97-3)?

3-Chloro-3-methyl-1-butyne (CAS: 1111-97-3) is an organic compound with the molecular formula C6H9Cl. It is a colorless gas with a characteristic odor. This compound is used in various industrial and chemical applications due to its reactivity and stability.

What are the main uses of 3-Chloro-3-methyl-1-butyne (CAS: 1111-97-3)?

3-Chloro-3-methyl-1-butyne (CAS: 1111-97-3) is primarily used as a precursor in organic synthesis and in the production of certain pharmaceuticals and agrochemicals. It is also used in the formulation of polymerization initiators and as a reagent in research laboratories.

Is 3-Chloro-3-methyl-1-butyne (CAS: 1111-97-3) safe?

3-Chloro-3-methyl-1-butyne (CAS: 1111-97-3) is classified as a hazardous substance due to its flammability and potential to cause skin irritation. Proper handling and protective measures, such as wearing gloves and respiratory protection, are essential to ensure safety.

How should 3-Chloro-3-methyl-1-butyne (CAS: 1111-97-3) be stored?

3-Chloro-3-methyl-1-butyne (CAS: 1111-97-3) should be stored in a cool, dry place away from direct sunlight and heat sources. Containers must be tightly sealed to prevent leakage and exposure to air. It should be stored in a well-ventilated area and handled with care to avoid contact with skin and eyes.