3-Ethynylaniline Chemical Properties

Melting point:

27°C

Boiling point:

92-93 °C (2 mmHg)

Density 

1.04

refractive index 

1.614-1.616

Flash point:

138 °F

storage temp. 

2-8°C

solubility 

Acetonitrile (Slightly), Chloroform (Slightly), DMSO (Slightly)

pka

3.67±0.10(Predicted)

form 

Liquid

Specific Gravity

1.12

color 

Clear yellow to brown

Water Solubility 

Insoluble in water.

BRN 

2935417

Stability:

Light Sensitive

InChIKey

NNKQLUVBPJEUOR-UHFFFAOYSA-N

CAS DataBase Reference

54060-30-9(CAS DataBase Reference)

NIST Chemistry Reference

M-aminophenylacetylene(54060-30-9)

EPA Substance Registry System

Benzenamine, 3-ethynyl- (54060-30-9)

Safety Information

Hazard Codes 

Xi,F

Risk Statements 

36/37/38

Safety Statements 

26-36-37/39-36/37

RIDADR 

UN 1993 3/PG 3

WGK Germany 

3

TSCA 

Yes

HazardClass 

3

PackingGroup 

Ⅲ

HS Code 

29214990

MSDS

• Language:English Provider:3-Ethynylaniline
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
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3-Ethynylaniline Usage And Synthesis

Chemical Properties

Clear yellowish to brown liquid

Uses

Reagent in the preparation of a labelled metabolite of Erlotinib (E625000).

Uses

3-Aminophenylacetylene is used as a pharmaceutical intermediate.

Application

3-Ethynylaniline may be used in the synthesis of the following benzoxazine monomers: bis{4-[3-(3-ethynylphenyl)(2H,4Hbenzo[3,4-e]1,3-oxazin-6-yloxy)]phenyl}phenylphosphino-1-one, [3-(3-ethynylphenyl)(2H,4Hbenzo[3,4-e]1,3-oxazaperhydroin-6-yl)][3-(3-ethynylphenyl)(2H,4H-benzo[3,4-e]1,3-oxazin-6-yl)]phenylphosphino-1-one, and bis[3-(3-ethynylphenyl)(2H,4Hbenzo[3,4-e]1,3-oxazin-6-yl)oxy]phenylphosphino-1-one.
It may be used: To synthesize succin(m-ethynyl)dianilide and sebaco(m-ethynyl)dianilide. As a reagent in the multi-step synthesis of erlotinib hydrochloride. To prepare 3-(3-ethynylphenyl)-6-methyl-2H, 4H-benzo[e]1,3-oxazine. To prepare 3-[3-(4-acetylamino-benzyl)-[1,2,4]oxadiazol-5- yl]-N-(3-ethynyl-phenyl)-propionamide.

General Description

3-Ethynylaniline is a terminal alkyne that can be prepared by the reduction of 3-ethylnylnitrobenzene.

3-Ethynylaniline(54060-30-9)Related Product Information

• 4-Aminobenzoic acid
• 2-BENZOYLACETANILIDE
• Aniline
• Methyl anthranilate
• Diphenylamine
• 3-Aminobenzenesulfonamide
• Sulfanilic acid
• Metanilic acid
• Acetylene
• Sulfanilamide
• p-Anisidine
• 2-Aminobenzaldehyde
• Diphenylacetylene
• Phenylacetylene
• N,N-Dimethylaniline
• Benzidine
• EMERALDINE BASE POLYANILINE
• 6,7-Bis-(2-methoxyethoxy)-4(3H)-quinazolinone