3-Ethynylaniline
ALDRICH/498289 - ≥98%
CAS Number: 54060-30-9
Empirical Formula (Hill Notation): C8H7N
Molecular Weight: 117.15
EC Number: 258-944-6
MDL Number: MFCD00014779
Linear Formula: HC≡CC6H4NH2
Product Type: Chemical
| assay | ≥98% |
| InChI | 1S/C8H7N/c1-2-7-4-3-5-8(9 |
| InChI key | NNKQLUVBPJEUOR-UHFFFAOYSA |
| Quality Level | 100 ![]() |
| reaction suitability | reaction type: click chemistry |
| SMILES string | Nc1cccc(c1)C#C |
| storage temp. | 2-8°C |
| Application: | 3-Ethynylaniline may be used in the synthesis of the following benzoxazine monomers: • bis{4-[3-(3-ethynylphen • [3-(3-ethynylphenyl)(2H,4Hbenzo[3,4-e]1,3-oxazaperh • bis[3-(3-ethynylphenyl) 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-met • To prepare 3-[3-(4-acetylamino-benzy |
| General description: | 3-Ethynylaniline is a terminal alkyne that can be prepared by the reduction of 3-ethylnylnitrobenzene. |
| Packaging: | 5 g in glass bottle |
| Symbol | ![]() GHS02,GHS07 |
| Signal word | Warning |
| Hazard statements | H226 - H315 - H319 - H335 |
| Precautionary statements | P210 - P302 + P352 - P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | UN 1993C 3 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 138.2 °F - closed cup |
| Flash Point(C) | 59 °C - closed cup |
| Purity | ≥98% |
| Storage Temp. | 2-8°C |
| UNSPSC | 12352100 |



