3-Ethynylaniline

Basic Information

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CAS Number

54060-30-9

Molecular Formula

C8H7N

Molecular Weight

117.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

27°C

Boiling Point

120°C/20mmHg

Density

1.04

Water Solubility

Insoluble in water.

Refractive Index

1.614-1.616

Vapor Pressure

0.0±0.5 mmHg at 25°C

SMILES

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C#CC1=CC(=CC=C1)N

InChI

InChI=1S/C8H7N/c1-2-7-4-3-5-8(9)6-7/h1,3-6H,9H2

InChIKey

NNKQLUVBPJEUOR-UHFFFAOYSA-N

LogP

1.83130

Complexity

131

Safety Information

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GHS Hazard Pictograms

H226

H315

H319

H335

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

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

Hazard Class

Class 3 Class 3

Synonyms & References

English

AC-068
Z235485474
54060-30-9
3-Amino phenylacetylene
UNII-DU8GFZ5KGE
(3-Aminophenyl)acetylene
3-ethynylphenylamine
SCHEMBL107461
FT-0615662
Benzenamine, 3-ethynyl-
1-Amino-3-ethynylbenzene
3-Ethynylaniline
(3-Ethynylphenyl)amine
isooctylnitrate
3-ethynyl-phenylamine
BP-21433
3-ETHYNYLANILINE (3-AMINOPHENYL ACETYLENE)
3-ethynylbenzenamine
(m-Aminophenyl)acetylene
HY-W007423
A830615
AM20050517
EN300-26967
DTXSID30885746
3-ethynylbenzenamine;3-Aminophenylacetylene
AKOS009116045
EINECS 258-944-6
MFCD00014779
3-ethynyl-aniline
A7863
NS00056620

MDL Number

MFCD00014779

FAQ

What is 3-Ethynylaniline (CAS: 54060-30-9)?

3-Ethynylaniline, with the CAS number 54060-30-9, is an organic compound containing an ethynyl group attached to an aniline ring. Its chemical formula is C8H9N. It is a colorless to pale yellow liquid with a distinct aromatic odor, known for its reactivity and use in various chemical syntheses.

What are the main uses of 3-Ethynylaniline (CAS: 54060-30-9)?

3-Ethynylaniline is primarily used in the pharmaceutical industry for the synthesis of drugs and as an intermediate in the production of dyes and other organic compounds. It also finds applications in research for developing new materials and in specialty chemical manufacturing.

Is 3-Ethynylaniline (CAS: 54060-30-9) safe?

3-Ethynylaniline is considered hazardous and should be handled with care. It may cause skin and eye irritation, and prolonged exposure can lead to more severe health effects. Proper protective equipment, including gloves and safety goggles, is recommended when working with this compound. Safety data sheets (SDS) should be consulted for detailed handling guidelines.

How should 3-Ethynylaniline (CAS: 54060-30-9) be stored?

3-Ethynylaniline should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is best kept in a sealed container made of glass or stainless steel to prevent contamination. Storage conditions should maintain a temperature below 25°C and humidity levels below 60% to ensure stability and safety.