All Photos(2)
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
Recommended Products
![1,8-Diazabicyclo[5.4.0]undec-7-ene 98%](/deepweb/assets/sigmaaldrich/product/structures/120/564/5b373e23-1624-489c-8efb-692de0f96ffb/640/5b373e23-1624-489c-8efb-692de0f96ffb.png)
![[3R(1′R,4R)]-(+)-4-Acetoxy-3-[1-(tert-butyldimethylsilyloxy)ethyl]-2-azetidinone 98%](/deepweb/assets/sigmaaldrich/product/structures/346/391/4981e055-bdcd-454c-8c8f-519083b64769/640/4981e055-bdcd-454c-8c8f-519083b64769.png)
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
Related Categories
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
Storage Class Code
3 - Flammable liquids
WGK
WGK 3
Flash Point(F)
138.2 °F - closed cup
Flash Point(C)
59 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.
Already Own This Product?
Find documentation for the products that you have recently purchased in the Document Library.
Customers Also Viewed
![2-[(Trimethylsilyl)ethynyl]aniline 97%](/deepweb/assets/sigmaaldrich/product/structures/194/066/182b08e4-35d7-4b7b-8958-c917f64391fc/640/182b08e4-35d7-4b7b-8958-c917f64391fc.png)
![4-[(Trimethylsilyl)ethynyl]aniline 96%](/deepweb/assets/sigmaaldrich/product/structures/322/881/781cb36d-38c8-406f-afb2-1a4488f884e2/640/781cb36d-38c8-406f-afb2-1a4488f884e2.png)
Synthesis, analgesic and anti-inflammatory activities of novel 3-(4-acetamido-benzyl)-5-substituted-1,2,4-oxadiazoles.
Farooqui M, et al.
European Journal of Medicinal Chemistry, 44(2), 794-799 (2009)
Side-chain type benzoxazine-functional cellulose via click chemistry.
Agag T, et al.
Journal of Applied Polymer Science, 125(2), 1346-1351 (2012)
Modified synthesis of erlotinib hydrochloride.
Barghi L, et al.
Advanced Pharmaceutical Bulletin, 2(1), 119-122 (2012)
Preparation of 2'-aminoacetophenones: a one-pot hydration and reduction of 1-ethynyl-2-nitrobenzenes.
Bosch E and Jeffries L.
Tetrahedron Letters, 42(46), 8141-8142 (2001)
Diacetylene-Containing Polymers III. Poly (m,m'-butadiynylenesuccindianilide) and Poly (m,m'-butadiynylene sebacodianilide): Novel Materials for Preparation of Transparent Polydiacetylene Containing Films.
Fomine S and Ogawa T
Polymer Journal, 26(1), 93-98 (1994)
Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.
Contact Technical Service