498289

3-Ethynylaniline

≥98%

• Linear Formula: HC≡CC₆H₄NH₂
• CAS Number: 54060-30-9
• Molecular Weight: 117.15
• EC Number: 258-944-6
• MDL number: MFCD00014779
• UNSPSC Code: 12352100
• PubChem Substance ID: 24873187
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: ≥98%
• reaction suitability: reaction type: click chemistry
• storage temp.: 2-8°C
• SMILES string: Nc1cccc(c1)C#C
• InChI: 1S/C8H7N/c1-2-7-4-3-5-8(9)6-7/h1,3-6H,9H2
• InChI key: NNKQLUVBPJEUOR-UHFFFAOYSA-N

Description

General description

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

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
• 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.

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226,H315,H319,H335
• pcodes: P210 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 138.2 °F - closed cup
• flash_point_c: 59 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter