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111079-19-7

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111079-19-7 Structure

111079-19-7 Structure

Identification	Back Directory
[Name] 4-Chloro-5-iodo-2-methylthiopyrimidine
[CAS] 111079-19-7
[Synonyms] 110071 4-Chloro-5-iodo-2-methylthiopyrimidine 4-chloro-5-iodo-2-methylsulfanylpyrimidine Pyrimidine, 4-chloro-5-iodo-2-(methylthio)-
[Molecular Formula] C5H4ClIN2S
[MDL Number] MFCD20492491
[MOL File] 111079-19-7.mol
[Molecular Weight] 286.52

Chemical Properties	Back Directory
[Melting point ] 63.5-64.5 °C
[Boiling point ] 331.1±22.0 °C(Predicted)
[density ] 2.09±0.1 g/cm3(Predicted)
[storage temp. ] Store at 0-8 °C
[pka] -1.91±0.29(Predicted)
[Appearance] yellow solid
[InChI] InChI=1S/C5H4ClIN2S/c1-10-5-8-2-3(7)4(6)9-5/h2H,1H3
[InChIKey] RPTQHLHIBGHGBF-UHFFFAOYSA-N
[SMILES] C1(SC)=NC=C(I)C(Cl)=N1

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302-H315-H319-H335
[Precautionary statements ] P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Spectrum Detail	Back Directory
[Spectrum Detail] 4-Chloro-5-iodo-2-methylthiopyrimidine(111079-19-7)¹HNMR 4-Chloro-5-iodo-2-methylthiopyrimidine(111079-19-7)¹HNMR

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