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About This Item
Linear Formula:
HC≡CC6H4NH2
CAS Number:
Molecular Weight:
117.15
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Quality Level
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
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
- 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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
WGK
WGK 3
Flash Point(F)
closed cup
Flash Point(C)
closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
危险化学品
Certificates of Analysis (COA)
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