Basic information
- CAS
130-59-6- Standard SMILES
O=[N+]([O-])c1ccc2c(S(=O)(=O)O)cc3onnc3c2c1- InChIKey
SQHJNWIFJGDCQA-UHFFFAOYSA-N- Molecular formula
- C10H5N3O6S
- Average molar mass
- 295.23 g/mol
- Monoisotopic mass
- 294.98990606
Names & identifiers
- Preferred name
- Naphth[1,2-d][1,2,3]oxadiazole-5-sulfonic acid, 8-nitro-
- IUPAC
- 8-nitrobenzo[e][1,2,3]benzoxadiazole-5-sulfonic acid
- English name
- 8-nitronaphth[1,2-d][1,2,3]oxadiazole-5-sulphonic acid
- Molecular formula
- C10H5N3O6S
- Molecular weight
- 295.23
Names & synonyms
130-59-6AVU4NQP9BPEINECS 204-991-2Naphth[1,2-d][1,2,3]oxadiazole-5-sulfonic acid, 8-nitro-Naphth(1,2-d)(1,2,3)oxadiazole-5-sulfonic acid, 8-nitro-DTXSID00596138-Nitronaphth[1,2-d][1,2,3]oxadiazole-5-sulfonic acid8-NITRONAPHTH(1,2-D)(1,2,3)OXADIAZOLE-5-SULFONIC ACIDRefChem:164556DTXCID2033940204-991-28-nitrobenzo[e][1,2,3]benzoxadiazole-5-sulfonic acid
Show more names
8-nitronaphth[1,2-d][1,2,3]oxadiazole-5-sulphonic acid8-nitronaphtho[1,2-d][1,2,3]oxadiazole-5-sulfonic acid8-Nitronaphth(1,2-d)(1,2,3)oxadiazole-5-sulphonic acidSQHJNWIFJGDCQA-UHFFFAOYSA-NUNII-AVU4NQP9BPNS00024115
Database identifiers
- CAS
130-59-6- PubChem CID
- 67227
- DTXSID
DTXSID0059613- UNII
- AVU4NQP9BP
- EC Number
- 204-991-2
- Nikkaji
- J184.374E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 500
Physicochemical properties
- Density
- 1.827 · 1.827±0.06 g/cm3(Predicted)
- pka
- -1.19 · -1.19±0.30(Predicted)
- FDA UNII
- 4 NQP9BP · AVU4NQP9BP
- EPA Substance Registry System
- 1 · Naphth[1,2-d][1,2,3]oxadiazole-5-sulfonic acid, 8-nitro- (130-59-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNaphth[1,2-d][1,2,3]oxadiazole-5-sulfonic acid, 8-nitro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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