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

Basic Information

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CAS Number

83554-69-2

Molecular Formula

C9H13Cl

Molecular Weight

72.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

207.5 °C at 760 mmHg

Density

0.946

Flash Point

74.7 °C

SMILES

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CC(C)(C)C#CC=CCNC

InChI

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

InChIKey

ZIXABMZBMHDFEZ-UHFFFAOYSA-N

LogP

2.0524

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

182

Synonyms & References

English

starbld0007142
2-Hepten-4-yn-1-amine,N,6,6-trimethyl-, (2E)-
(6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-amine
AS-81828
83554-69-2
XQRHBYHDDOJZTM-FNORWQNLSA-N
SCHEMBL5168914
(E)-N,6,6-trimethylhept-2-en-4-yn-1-amine
AKOS015912746
AC-32554
N-methyl-N-(E)-(6,6-dimethylhept-2-en-4-ynyl)amine
1-Chloro-6,6-dimethyl-2-heptene-4-yne
(2E)-N,6,6-trimethyl-2-Hepten-4-yn-1-amine
N,6,6-trimethylhept-2-en-4-yn-1-amine
(E)-N,6,6-trimethyl-2-hepten-4-yn-1-amine
(E)-N,6,6-Trimethylhept-2-en-4-in-1-ylamine
2-Hepten-4-yn-1-amine,N,6,6-trimethyl-,(2E)
2-Hepten-4-yn-1-amine,N,6,6-trimethyl-,(E)
N-(6,6-dimethyl-2-hepten-4-ynyl)methylamine
N-(6,6-dimethyl-hept-2-en-4-ynyl)methylamine
trans-N-(6,6-dimethylhept-2-en-4-ynyl)-methylamine
2-Hepten-4-yn-1-amine,N,6,6-trimethyl-, (E)-

MDL Number

MFCD20692002

Customs Code

2921199090

FAQ

What is 1-Chloro-6,6-dimethyl-2-hepten-4-yne (CAS: 83554-69-2)?

1-Chloro-6,6-dimethyl-2-hepten-4-yne is an organic compound with the CAS number 83554-69-2. It is a colorless liquid with a slight odor. This compound is characterized by its specific molecular structure, which includes a chlorine atom, two methyl groups, and a conjugated system of double and triple bonds.

What are the main uses of 1-Chloro-6,6-dimethyl-2-hepten-4-yne (CAS: 83554-69-2)?

1-Chloro-6,6-dimethyl-2-hepten-4-yne is primarily used as a precursor in the synthesis of other organic compounds, particularly in the pharmaceutical industry. It is also utilized in the production of fragrances and in chemical research for its specific reactivity.

Is 1-Chloro-6,6-dimethyl-2-hepten-4-yne (CAS: 83554-69-2) safe?

1-Chloro-6,6-dimethyl-2-hepten-4-yne is considered safe when handled properly. However, it is important to follow safety guidelines to avoid inhalation, skin contact, or eye exposure. Protective measures include the use of appropriate personal protective equipment such as gloves, goggles, and a lab coat.

How should 1-Chloro-6,6-dimethyl-2-hepten-4-yne (CAS: 83554-69-2) be stored?

1-Chloro-6,6-dimethyl-2-hepten-4-yne should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in tightly sealed containers to prevent evaporation and contamination. Storage temperatures should be maintained below 30°C (86°F) to ensure stability and safety.