Basic information
- CAS
84-91-3- Standard SMILES
O=[N+]([O-])c1ccc2c(c1)c(S(=O)(=O)O)cc1onnc12- InChIKey
NLBIPCLXYJYOQP-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, 7-nitro-
- IUPAC
- 7-nitrobenzo[e][1,2,3]benzoxadiazole-5-sulfonic acid
- English name
- 7-nitronaphth[1,2-d][1,2,3]oxadiazole-5-sulphonic acid
- Molecular formula
- C10H5N3O6S
- Molecular weight
- 295.23
Names & synonyms
Naphth[1,2-d][1,2,3]oxadiazole-5-sulfonic acid, 7-nitro-7-Nitronaphth[1,2-d][1,2,3]oxadiazole-5-sulfonic acidEINECS 201-573-17-Nitronaphth(1,2-d)(1,2,3)oxadiazole-5-sulfonic acid7-Nitronaphth[1,2-d][1,2,3]oxadiazole-5-sulphonic acidDTXSID2058912Naphth(1,2-d)(1,2,3)oxadiazole-5-sulfonic acid, 7-nitro-7-Nitronaphth(1,2-d)(1,2,3)oxadiazole-5-sulphonic acidRefChem:831728DTXCID6048387201-573-184-91-3
Show more names
7-nitrobenzo[e][1,2,3]benzoxadiazole-5-sulfonic acidMFCD000358337-nitronaphtho[1,2-d][1,2,3]oxadiazole-5-sulfonic acidLAL6U72VDXSCHEMBL10080479NLBIPCLXYJYOQP-UHFFFAOYSA-NSTK372006AKOS005446553
Database identifiers
- CAS
84-91-3- PubChem CID
- 66544
- DTXSID
DTXSID2058912- UNII
- LAL6U72VDX
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
- EPA Substance Registry System
- 1 · Naphth[1,2-d][1,2,3]oxadiazole-5-sulfonic acid, 7-nitro- (84-91-3)
- 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (106 of 106) of all reports.
Not Classified
Aggregated GHS information provided per 106 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNaphth[1,2-d][1,2,3]oxadiazole-5-sulfonic acid, 7-nitro-: ACTIVE
Suppliers1 total
BIOSYNTH[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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