1-Ethynylisoquinoline

Basic Information

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CAS Number

86520-96-9

Molecular Formula

C11H7N

Molecular Weight

16.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

298 ºC

Density

1.13

Flash Point

129 ºC

SMILES

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C#CC1=NC=CC2=C1C=CC=C2

InChI

InChI=1S/C11H7N/c1-2-11-10-6-4-3-5-9(10)7-8-12-11/h1,3-8H

InChIKey

PTRWXSTUHSTRHM-UHFFFAOYSA-N

LogP

0.6361

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

200

Safety Information

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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-ethynyl-Isoquinoline
Isoquinoline, 1-ethynyl-
1-Ethynylisoquinoline
FCH1188469
AB0027097
AX8158831
W8890
ST24027091

MDL Number

MFCD16659652

FAQ

What is 1-Ethynylisoquinoline (CAS: 86520-96-9)?

1-Ethynylisoquinoline is a substituted isoquinoline derivative with the chemical formula C10H7N. It is a colorless to yellow liquid with a distinctive odor. This compound is used in pharmaceutical research for its potential as an antitumor agent and in the synthesis of other organic compounds.

What are the main uses of 1-Ethynylisoquinoline (CAS: 86520-96-9)?

1-Ethynylisoquinoline is primarily used in pharmaceutical research as a starting material for drug development, particularly in the search for new antitumor agents. It is also utilized in the synthesis of other organic compounds for various industrial applications.

Is 1-Ethynylisoquinoline (CAS: 86520-96-9) safe?

1-Ethynylisoquinoline can be safe when handled properly. However, it is important to take precautions such as wearing appropriate personal protective equipment (PPE) and ensuring good ventilation. Keep away from sources of ignition and avoid skin and eye contact. Follow all safety guidelines provided by the manufacturer.

How should 1-Ethynylisoquinoline (CAS: 86520-96-9) be stored?

1-Ethynylisoquinoline should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent exposure to air. Store it at room temperature and avoid freezing. Ensure proper labeling and keep it out of reach of children and unauthorized personnel.