3-Ethynylaniline

CAS NO.：54060-30-9
Empirical Formula: C8H7N
Molecular Weight: 117.15
MDL number: MFCD00014779
EINECS: 258-944-6
SAFETY DATA SHEET (SDS)
Update Date: 2025-09-25 17:15:13

What is 3-Ethynylaniline?

Chemical properties

Clear yellowish to brown liquid

What are the applications of Application

3-Ethynylaniline is used as a pharmaceutical intermediate. It 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.

Properties of 3-Ethynylaniline

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), Ethyl Acetate (
pka	3.67±0.10(Predicted)
form	Liquid
color	Clear yellow to brown
Specific Gravity	1.12
Water Solubility	Insoluble in water.
BRN	2935417
Stability:	Light Sensitive
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 for 3-Ethynylaniline

Signal word	Warning
Pictogram(s)	Flame Flammables GHS02 Exclamation Mark Irritant GHS07
GHS Hazard Statements	H226:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.