Basic information
- CAS
84-23-1- Standard SMILES
O=S(=O)(O)c1cc2onnc2c2ccccc12- InChIKey
WHHIIGNOLGKQPD-UHFFFAOYSA-N- Molecular formula
- C10H6N2O4S
- Average molar mass
- 250.23 g/mol
- Monoisotopic mass
- 250.00482785
Names & identifiers
- Preferred name
- Naphth(1,2-d)(1,2,3)oxadiazole-5-sulfonic acid
- IUPAC
- benzo[e][1,2,3]benzoxadiazole-5-sulfonic acid
- English name
- naphth[1,2-d][1,2,3]oxadiazole-5-sulphonic acid
- Molecular formula
- C10H6N2O4S
- Molecular weight
- 250.23
Names & synonyms
84-23-1Naphth[1,2-d][1,2,3]oxadiazole-5-sulfonic acidEINECS 201-523-9NSC 65884Naphth(1,2-d)(1,2,3)oxadiazole-5-sulfonic acidDTXSID8058902RefChem:164555DTXCID2048377benzo[e][1,2,3]benzoxadiazole-5-sulfonic acidNaphtho[1,2-d][1,2,3]oxadiazole-5-sulfonic acidEPT2YRZ9MHNSC65884
Show more names
Naphth[1,2-d][1,2,3]oxadiazole-5-sulphonic acidMLS002693525NSC-65884Naphth(1,2-d)(1,2,3)oxadiazole-5-sulphonic acidnaphtho[1,2-d]1,2,3-oxadiazoline-5-sulfonic acidUNII-EPT2YRZ9MHSCHEMBL6151305CHEMBL1730299
Database identifiers
- CAS
84-23-1- PubChem CID
- 66528
- DTXSID
DTXSID8058902- ChEMBL
CHEMBL1730299- UNII
- EPT2YRZ9MH
- EC Number
- 201-523-9
- Nikkaji
- J192.613F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 394
Physicochemical properties
- Density
- 1.671 · 1.671±0.06 g/cm3(Predicted)
- pka
- -0.78 · -0.78±0.30(Predicted)
- FDA UNII
- 2 YRZ9MH · EPT2YRZ9MH
- EPA Substance Registry System
- 1 · Naphth[1,2-d][1,2,3]oxadiazole-5-sulfonic acid (84-23-1)
- 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% (2112 of 2112) of all reports.
Not Classified
Aggregated GHS information provided per 2112 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: ACTIVE
Suppliers1 total
Daily Centre Limited—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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