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36778-15-1

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36778-15-1 Structure

36778-15-1 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

3-Isothiazolecarboxylic acid, 5-nitro-(36778-15-1)1HNMR
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