2-ethynylaniline

Basic Information

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CAS Number

52670-38-9

Molecular Formula

C8H7N

Molecular Weight

107.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Physical State

Liquid

Boiling Point

229-230 °C

Density

1.030 g/mL at 25 °C

Refractive Index

n20/D 1.6200(lit.)

Vapor Pressure

0.1±0.4 mmHg at 25°C

SMILES

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C#CC1=CC=CC=C1N

InChI

InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3

InChIKey

RNVCVTLRINQCPJ-UHFFFAOYSA-N

LogP

1.57722

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

131

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

2-ethynylbenzenamine
CS-W004892
A847480
ALQPJHSFIXARGX-UHFFFAOYSA-N
SCHEMBL170846
N-(2-Chloromethyl)-N-methylpiperidine,hydrochloridesalt
DTXSID30399999
MFCD00168862
2-ethynyl aniline
2-ETHYNYLANILINE 98
AS-10515
2-Ethynylaniline
2-Ethynylaniline, 98%
2-Ethynyl-phenylamine
52670-38-9
AMY23137
E1410
CHEMBL394629
Benzenamine, 2-ethynyl-
SY066830
2-Aminophenylacetylene
J-508067
EN300-743880
AKOS005257064
2-(ethynyl)phenylamine
2-Ethynyl-benzenamine
Benzenamine,2-ethynyl
O-AMINOPHENYLACETYLENE
2-ethynylaniline

MDL Number

MFCD00168862

Customs Code

2921420090

FAQ

What are the physical and chemical properties of 2-ethynylaniline (CAS: 52670-38-9)?

2-Ethynylaniline is a colorless to pale yellow solid with a molecular weight of approximately 112.14 g/mol. It has a melting point of 48-49°C and is slightly soluble in water. It is highly reactive due to the presence of a -CN group and a -C≡C- group. The compound is also sensitive to light and air oxidation.

How is 2-ethynylaniline (CAS: 52670-38-9) typically synthesized?

2-Ethynylaniline can be synthesized via the reaction of aniline with acetylene in the presence of a copper catalyst. The reaction involves electrophilic aromatic substitution and can be carried out under mild conditions. The yield is generally good, and the selectivity is high due to the presence of a strong electron-withdrawing group.

What industries use 2-ethynylaniline (CAS: 52670-38-9)?

2-Ethynylaniline finds applications in the pharmaceutical industry for the synthesis of certain drugs and intermediates. It is also used in the production of dyes, pigments, and other chemical intermediates. Additionally, this compound can be utilized in the development of sensors and as a precursor in the semiconductor industry.

What precautions should be taken when handling 2-ethynylaniline (CAS: 52670-38-9)?

When handling 2-ethynylaniline, it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Work should be conducted in a well-ventilated area or a fume hood to avoid inhaling vapors. Spills should be cleaned up using appropriate absorbent materials, and the area should be decontaminated. Always consult the Safety Data Sheet (SDS) for detailed safety information.