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: 2026-07-16 18:07:46
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. |
Computed Descriptors for 3-Ethynylaniline
| InChIKey | NNKQLUVBPJEUOR-UHFFFAOYSA-N |
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