945717-09-9

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945717-09-9 Structure

Identification	Back Directory
[Name] 2-Chloro-4-ethynylpyridine
[CAS] 945717-09-9
[Synonyms] 2-Chloro-4-ethynylpyridine Pyridine, 2-chloro-4-ethynyl-
[Molecular Formula] C7H4ClN
[MDL Number] MFCD13189742
[MOL File] 945717-09-9.mol
[Molecular Weight] 137.57

Chemical Properties	Back Directory
[Boiling point ] 223℃
[density ] 1.23
[Fp ] 110℃
[storage temp. ] Inert atmosphere,2-8°C
[form ] solid
[pka] -0.35±0.10(Predicted)
[Appearance] White to off-white Solid
[InChI] InChI=1S/C7H4ClN/c1-2-6-3-4-9-7(8)5-6/h1,3-5H
[InChIKey] DLEWWBKXDRBGRF-UHFFFAOYSA-N
[SMILES] C1(Cl)=NC=CC(C#C)=C1

Safety Data	Back Directory
[Symbol(GHS) ] GHS06
[Signal word ] Danger
[Hazard statements ] H301
[Precautionary statements ] P264-P270-P301+P310-P405-P501
[Hazard Codes ] Xn
[Risk Statements ] 22
[HS Code ] 2933399990

Spectrum Detail	Back Directory
[Spectrum Detail] 2-Chloro-4-ethynylpyridine(945717-09-9)¹HNMR

Hazard Information	Back Directory
[References] [1] Patent: US2007/185058, 2007, A1. Location in patent: Page/Page column 12 [2] Patent: WO2007/90752, 2007, A1. Location in patent: Page/Page column 30 [3] Journal of Medicinal Chemistry, 2012, vol. 55, # 11, p. 5270 - 5290 [4] Patent: WO2017/117708, 2017, A1. Location in patent: Page/Page column 18 [5] Chemical Communications, 2013, vol. 49, # 20, p. 2037 - 2039

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