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286013-01-2

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286013-01-2 Structure

286013-01-2 Structure

Identification	Back Directory
[Name] 1-(3-Aminophenyl)acetylene-1,2-¹³C₂
[CAS] 286013-01-2
[Synonyms] Benzenamine, 3-(ethynyl-13C2)- 1-(3-Aminophenyl)acetylene-1,2-¹³C₂
[Molecular Formula] C8H7N
[MOL File] 286013-01-2.mol
[Molecular Weight] 119.13

Chemical Properties	Back Directory
[Boiling point ] 78-80 °C/2 mmHg (lit.)
[density ] 1.056±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
[InChI] 1S/C8H7N/c1-2-7-4-3-5-8(9)6-7/h1,3-6H,9H2/i1+1,2+1
[InChIKey] NNKQLUVBPJEUOR-ZDOIIHCHSA-N
[SMILES] Nc1cccc(c1)[13C]#[13CH]

Safety Data	Back Directory
[WGK Germany ] WGK 3
[Storage Class] 3 - Flammable liquids
[Hazard Classifications] Eye Irrit. 2 Flam. Liq. 3 Skin Irrit. 2 STOT SE 3

Hazard Information	Back Directory
[Uses] - High-resolution NMR spectroscopy - Metabolomic profiling and pathway analysis - Stable Isotope probing in Environmental microbiology - Environmental monitoring applications

286013-01-2 suppliers list

Company Name:	Merck KGaA
Telephone:	21-20338288
Website:	www.sigmaaldrich.cn

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