| Identification | Back Directory | [Name]
3-Isothiazolecarboxylic acid, 5-nitro- | [CAS]
36778-15-1 | [Synonyms]
Nitroisothiazole-
5-nitroisothiazole-3-carboxylic acid
5-nitro-1,2-thiazole-3-carboxylic acid
3-Isothiazolecarboxylic acid, 5-nitro- | [Molecular Formula]
C4H2N2O4S | [MOL File]
36778-15-1.mol | [Molecular Weight]
174.13 |
| Chemical Properties | Back Directory | [Boiling point ]
253.8±38.0 °C(Predicted) | [density ]
1.804±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [pka]
2.76±0.10(Predicted) | [InChI]
InChI=1S/C4H2N2O4S/c7-4(8)2-1-3(6(9)10)11-5-2/h1H,(H,7,8) | [InChIKey]
VYNSNKZEWKFVJN-UHFFFAOYSA-N | [SMILES]
S1C([N+]([O-])=O)=CC(C(O)=O)=N1 |
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