3-Ethynylaniline
- CAS No.
- 54060-30-9
- Chemical Name:
- 3-Ethynylaniline
- Synonyms
- 3-ETHYNYLANILINE;3-AMINOPHENYLACETYLENE;3-EthynylbenzaMine;3-ETHYNYL-PHENYLAMINE;M-AMINOPHENYL ACETYLENE;SOLI-006;3-Ethynyl;Erlotinib-8;Erlotinib INT;3-Ethynlaniline
- CBNumber:
- CB4417819
- Molecular Formula:
- C8H7N
- Molecular Weight:
- 117.15
- MDL Number:
- MFCD00014779
- MOL File:
- 54060-30-9.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| 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 |
| InChI | 1S/C8H7N/c1-2-7-4-3-5-8(9)6-7/h1,3-6H,9H2 |
| InChIKey | NNKQLUVBPJEUOR-UHFFFAOYSA-N |
| SMILES | Nc1cccc(c1)C#C |
| CAS DataBase Reference | 54060-30-9(CAS DataBase Reference) |
| FDA UNII | DU8GFZ5KGE |
| NIST Chemistry Reference | M-aminophenylacetylene(54060-30-9) |
| EPA Substance Registry System | Benzenamine, 3-ethynyl- (54060-30-9) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS02,GHS07 |
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|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H226-H315-H319-H335 | |||||||||
| Precautionary statements | P210-P302+P352-P305+P351+P338 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | Eyeshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| 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 | TSCA listed | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | Ⅲ | |||||||||
| HS Code | 29214990 | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications | Eye Irrit. 2 Flam. Liq. 3 Skin Irrit. 2 STOT SE 3 |
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| Limited Quantities | 5.0 L (1.3 gallons) (liquid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) | |||||||||
| NFPA 704 |
|
3-Ethynylaniline price More Price(68)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 498289 | 3-Ethynylaniline ≥98% | 54060-30-9 | 5g | $112 | 2026-04-30 | Buy |
| TCI Chemical | A1122 | 3-Ethynylaniline >98.0%(GC) | 54060-30-9 | 10g | $105 | 2021-12-16 | Buy |
| TCI Chemical | A1122 | 3-Ethynylaniline >98.0%(GC) | 54060-30-9 | 25g | $193 | 2026-04-30 | Buy |
| Usbiological | 011339 | 3-Ethynylaniline ≥98% | 54060-30-9 | 10mg | $326 | 2026-06-03 | Buy |
| Usbiological | 011339 | 3-Ethynylaniline ≥98% | 54060-30-9 | 100mg | $410 | 2026-06-03 | Buy |
3-Ethynylaniline Chemical Properties,Uses,Production
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.
reaction suitability
reaction type: click chemistry
Synthesis
Starting with m-nitrocinnamic acid: First, it undergoes an addition reaction with liquid bromine in glacial acetic acid to generate 3-(3-nitro)phenyl-2,3-dibromopropionic acid; subsequently, it undergoes dehydrobromination and decarboxylation reactions under the action of an organic base (such as DBU) to generate the key intermediate m-nitrophenylacetylene; finally, the nitro group is reduced to an amino group using iron powder in an acidic aqueous ethanol solution to obtain the target product 3-Ethynylaniline.
3-Ethynylaniline Preparation Products And Raw materials
Raw materials
1of2
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Changzhou Sunchem Pharmaceutical Chemical Material Co.,Ltd. | 0519-85269522 15906111708 | sunlight68@126.com | China | 99 | 60 |
| Shanghai Zhuorui Chemical Co.,Ltd. | 021-69180038 | zhuoruichem@163.com | China | 105 | 58 |
| Wuhan kemike Biomedical Technology Co., Ltd | 027-87747081 18186681184 | 1344475572@qq.com | China | 6978 | 58 |
| Changzhou Sunchem Pharmaceutical Chemical Material Co.,Ltd. | 0519-85195575 15861192208;15861192208;13685253038 | 850305@sunkechem.com | China | 72 | 69 |
| Gansu Songsheng Pharmaceutical Co. , Ltd. | 13705130158 | sales@unitechemical.com | China | 145 | 58 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
| Shanghai TBBMed Co.,Ltd | 021-50498136 13564881053 | products@tbbmed.com | China | 180 | 55 |
| Jiangxi Jingyang Chemical Products Co., LTD | 0798-15170312128 15170312128 | 1436027029@qq.com | China | 16 | 58 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Changzhou Sunlight Pharmaceutical Co., Ltd | 519-83131668 15995063688 | info@sunlightchem.com | China | 100 | 69 |
View Lastest Price from 3-Ethynylaniline manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-09-12 | 3-Aminophenylacetylene
54060-30-9
|
0.99 | RongNa Biotechnology Co.,Ltd | ||||
 |
2026-09-11 | 3-Aminophenylacetylene
54060-30-9
|
$14.00-264.00 | 25g | 0.98 | 25kg | Shanghai UCHEM Inc. | |
 |
2026-09-02 | 3-Ethynylaniline
54060-30-9
|
$5.00 | 1KG | 99% | Henan Fengda Chemical Co., Ltd |
-
- 3-Aminophenylacetylene
54060-30-9
- 0.99
- RongNa Biotechnology Co.,Ltd
-
- 3-Aminophenylacetylene
54060-30-9
- $14.00-264.00
- 0.98
- Shanghai UCHEM Inc.
-
- 3-Ethynylaniline
54060-30-9
- $5.00
- 99%
- Henan Fengda Chemical Co., Ltd
