78449-67-9

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78449-67-9 Structure

Identification	Back Directory
[Name] 3,5-DIMETHYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID
[CAS] 78449-67-9
[Synonyms] 1,4-Dimethylimidazole-5-carboxylic acid 3,5-DIMETHYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID 1,4-Dimethyl-1H-imidazole-5-carboxylic acid 1H-Imidazole-5-carboxylic acid, 1,4-dimethyl- 3,5-Dimethyl-3H-imidazole-4-carboxylic acid ,98% 1,4-Dimethyl-1H-imidazole-5-carboxylic acid 95% (elemental analysis)
[Molecular Formula] C6H8N2O2
[MDL Number] MFCD08063163
[MOL File] 78449-67-9.mol
[Molecular Weight] 140.14

Chemical Properties	Back Directory
[Melting point ] 210-215°C
[Boiling point ] 386.0±22.0 °C(Predicted)
[density ] 1.28±0.1 g/cm3(Predicted)
[storage temp. ] 2-8°C
[form ] solid
[pka] 1.59±0.32(Predicted)
[InChI] 1S/C6H8N2O2/c1-4-5(6(9)10)8(2)3-7-4/h3H,1-2H3,(H,9,10)
[InChIKey] OPSKQGQJCODPET-UHFFFAOYSA-N
[SMILES] CN1C(C(O)=O)=C(C)N=C1

Safety Data	Back Directory
[Hazard Codes ] Xi
[Risk Statements ] 36/37/38
[Safety Statements ] 26
[WGK Germany ] 3
[HS Code ] 2933299090
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

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