1-Chloro-6,6-dimethyl-2-hepten-4-yne

Basic Information

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CAS Number

126764-17-8

Molecular Formula

C9H13Cl

Molecular Weight

72.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

207-208 ºC

Flash Point

75 ºC

Refractive Index

1.485

SMILES

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CC(C)(C)C#CC=CCCl

InChI

InChI=1S/C9H13Cl/c1-9(2,3)7-5-4-6-8-10/h4,6H,8H2,1-3H3/b6-4+

InChIKey

ZIXABMZBMHDFEZ-GQCTYLIASA-N

LogP

2.0524

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

170

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

1-Chloro-6,6-Dimethyl-2-ene-4-yne-heptane
D70849
1-chloro-6,6-dimethylhept-2-en-4-yne
Q-200119
(2E)-1-chloro-6,6-dimethylhept-2-en-4-yne
A889369
TRANS-1-CHLORO-6,6-DIMETHYL-2-HEPTENE-4-YNE
trans 1-chloro-6,6-dimethyl-2-hepten-4-yne
EN300-7372491
ZIXABMZBMHDFEZ-GQCTYLIASA-N
1-chloro-6,6-dimethyl-2-hepten-4-yne
(E)-1-chloro-6,6-dimethylhept-2-en-4-yne
2-Hepten-4-yne, 1-chloro-6,6-dimethyl-, (2E)-
AM715
AS-13197
1-chloro-6,6-dime-thyl-2-hepten-4-yne
8-Methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylicacid
1-Chloro-6,6-dimethyl-2-heptene-4-yne
AKOS006222561
SCHEMBL2768857
1-Chloro-6,6-dimethyl-2-heptene-4-yne (90:10 E:Z)
287471-30-1
MFCD04039160
1-Chloro-6,6-dimethyl-5-hept-2-en-4-ino
1-Chloro-6,6-dimethyl-2-heptene-4-yne, mainly trans
J-500734
CS-W017984
TRANS-1-CHLORO-6,6-DIMETHYL-2-HEPTENE-4-YNE; 1-Chloro-6,6-Dimethyl-2-Heptene-4-Yne; 1-Chloro-6,6-dimethyl-5-hept-2-en-4-ino;1-Chloro-6,6-dimethyl-2-heptene-4-yne, mainly trans
AKOS025149293
2-Hepten-4-yne, 1-chloro-6,6-dimethyl-
126764-17-8

MDL Number

MFCD04039160

Customs Code

2903299090

FAQ

What is 1-Chloro-6,6-dimethyl-2-hepten-4-yne (CAS: 126764-17-8)?

1-Chloro-6,6-dimethyl-2-hepten-4-yne (CAS: 126764-17-8) is an organic compound containing a chloro group, a dimethyl branch, and a combination of double and triple bonds. Its chemical structure features a seven-carbon chain with functional groups at positions 2 and 4, making it a versatile starting material in synthetic chemistry. It is typically a colorless liquid with a distinct odor and is known for its reactivity due to the presence of multiple unsaturated bonds.

What are the main uses of 1-Chloro-6,6-dimethyl-2-hepten-4-yne (CAS: 126764-17-8)?

1-Chloro-6,6-dimethyl-2-hepten-4-yne (CAS: 126764-17-17) is primarily used in pharmaceutical research for the synthesis of complex molecules. It also finds applications in industrial chemistry as a precursor for various organic compounds. Additionally, it is utilized in research settings for developing new materials and as an intermediate in the production of specialty chemicals.

Is 1-Chloro-6,6-dimethyl-2-hepten-4-yne (CAS: 126764-17-8) safe?

1-Chloro-6,6-dimethyl-2-hepten-4-yne (CAS: 126764-17-8) is considered hazardous due to its potential irritant properties. It should be handled with care, using appropriate personal protective equipment such as gloves and goggles. Safety data sheets (SDS) recommend avoiding inhalation and skin contact. Proper storage and disposal are essential to comply with chemical safety standards and minimize risk.

How should 1-Chloro-6,6-dimethyl-2-hepten-4-yne (CAS: 126764-17-8) be stored?

1-Chloro-6,6-dimethyl-2-hepten-4-yne (CAS: 126764-17-8) should be stored in a cool, dry, and well-ventilated area, away from heat and direct light. It is best kept in a sealed, inert container to prevent exposure to air and moisture. Storage conditions should maintain temperatures below 25°C and humidity levels below 60% to ensure stability and prolong shelf life.