13600-48-1

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13600-48-1 Structure

Identification	Back Directory
[Name] 2-chloro-6-methyl-4-(trifluoromethyl)nicotinonitrile
[CAS] 13600-48-1
[Synonyms] 2-chloro-6-methyl-4-(trifluoromethyl)nicotinonitrile 2-Chloro-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile 3-Pyridinecarbonitrile, 2-chloro-6-methyl-4-(trifluoromethyl)-
[Molecular Formula] C8H4ClF3N2
[MDL Number] MFCD10568352
[MOL File] 13600-48-1.mol
[Molecular Weight] 220.58

Chemical Properties	Back Directory
[Boiling point ] 85 °C
[density ] 1.44±0.1 g/cm3(Predicted)
[storage temp. ] Inert atmosphere,2-8°C
[form ] oil
[pka] -2.69±0.10(Predicted)
[color ] Pale yellow
[InChI] InChI=1S/C8H4ClF3N2/c1-4-2-6(8(10,11)12)5(3-13)7(9)14-4/h2H,1H3
[InChIKey] LNJOJFNFYGSCCR-UHFFFAOYSA-N
[SMILES] C1(Cl)=NC(C)=CC(C(F)(F)F)=C1C#N

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302-H315-H319-H335
[Precautionary statements ] P261-P305+P351+P338
[HazardClass ] IRRITANT
[HS Code ] 2933399990

Hazard Information	Back Directory
[Uses] 2-Chloro-6-methyl-4-(trifluoromethyl)nicotinonitrile is used in preparation of heterocyclic derivatives as DNA polymerase theta inhibitors.

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