Basic information
- CAS
1128-90-1- Standard SMILES
O=[N+]([O-])c1ccc2n[se]nc2c1- InChIKey
SDIIVHVIQKJSNC-UHFFFAOYSA-N- Molecular formula
- C6H3N3O2Se
- Average molar mass
- 228.08 g/mol
- Monoisotopic mass
- 228.93905
Names & identifiers
- Preferred name
- 5-Nitropiazselenol
- IUPAC
- 5-nitro-2,1,3-benzoselenadiazole
- English name
- 3-nitro-8-selena-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraene
- Molecular formula
- C6H3N3O2Se
- Molecular weight
- 228.07
Names & synonyms
5-NitropiazselenolRefChem:5373835-Nitro-2,1,3-benzoselenadiazole1128-90-12,1,3-Benzoselenadiazole, 5-nitro-BB9U9SSQ8GNSC-497665-Nitrobenzo[c][1,2,5]selenadiazole3-NITRO-8-SELENA-7,9-DIAZABICYCLO[4.3.0]NONA-2,4,6,9-TETRAENENSC49766NSC 49766UNII-BB9U9SSQ8G
Show more names
5-NITRO-BENZO(1,2,5)SELENADIAZOLE
5-NITROPIASELENOLE5-NITROPIAZSELENOLESCHEMBL4561641CHEMBL5287049DTXSID30150183SDIIVHVIQKJSNC-UHFFFAOYSA-NAKOS001027512Z56757692
Database identifiers
- CAS
1128-90-1- PubChem CID
- 96046
- DTXSID
DTXSID30150183- ChEMBL
CHEMBL5287049- UNII
- BB9U9SSQ8G
- EC Number
- 682-984-7
- Nikkaji
- J2.805.629J、J472.715K
Properties
Computed structural properties
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Melting point
- 220 · 220-221 °C
- Boiling point
- 356.3 · 356.3±34.0 °C(Predicted)
- pka
- -1.54 · -1.54±0.36(Predicted)
- FDA UNII
- 9 U9SSQ8G · BB9U9SSQ8G
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers4 total
河南普赛化工产品有限公司0371-63357898 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
郑州浩创新材料有限公司19139721821; 19139721821 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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