Basic information
- CAS
5128-28-9- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c2no[n+]([O-])c2c1- InChIKey
YHBBUAULQKLKMW-UHFFFAOYSA-N- Molecular formula
- C6H2N4O6
- Average molar mass
- 226.1 g/mol
- Monoisotopic mass
- 225.9974338
Overview
structure in first source
Names & identifiers
- Preferred name
- 4,6-Dinitrobenzofuroxan
- IUPAC
- 4,6-dinitro-1-oxido-2,1,3-benzoxadiazol-1-ium
- English name
- 4,6-Dinitrobenzofuroxane
- Molecular formula
- C6H2N4O6
- Molecular weight
- 226.1
Names & synonyms
5128-28-94,6-Dinitrobenzofuroxan2,1,3-Benzoxadiazole, 4,6-dinitro-, 1-oxideDNBF cpdRefChem:439930DTXCID7040990DTXSID7063710700-179-14,6-Dinitrobenzofuroxane4,6-dinitro-1-oxido-2,1,3-benzoxadiazol-1-iumSCHEMBL35004274,6-Dinitrobenzofurazan-n-oxide
Show more names
DNBF4,6-Dinitrobenzfuroxan4,6-dinitro-benzofuraza 1-oxide4,6-Dinitrobenzofurazane 1-oxide4,6-dinitro-1-oxido-benzofurazan-1-ium4,6-Dinitro-2,1,3-benzoxadiazole 1-oxide1-Oxylato-4,6-dinitrobenzofurazane-1-ium
YHBBUAULQKLKMW-UHFFFAOYSA-AKOS022141988DS-005158NS000031484,6-dinitrobenzo[c][1,2,5]oxadiazole 1-oxideInChI=1/C6H2N4O6/c11-8(12)3-1-4(9(13)14)6-5(2-3)10(15)16-7-6/h1-2H
Database identifiers
- CAS
5128-28-9- PubChem CID
- 78802
- DTXSID
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Melting point
- 172 °C · 172°C
- Boiling point
- 367.7 °C · 367.7°C (rough estimate)
- Density
- 1.888 · 1.8880 (rough estimate)
- refractive index
- 1.69 · 1.6900 (estimate)
- pka
- -0.94 · -0.94±0.50(Predicted)
- EPA Substance Registry System
- 2 · 2,1,3-Benzoxadiazole, 4,6-dinitro-, 1-oxide (5128-28-9)
- Symbol(GHS)
- 1 · GHS01,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315+H320-H302-H201
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P210-P230-P240-P250-P280-P370+P380-P372-P373-P401-P501
- TSCA
- TSCA listed
- REACH Registrations
- Active
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
Danger
H201 (100%): (Deleted) Explosive; mass explosion hazard [Danger Explosives]
P210, P230, P240, P250, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P380, P372, P373, P401, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 4,6-dinitro-2,1,3-benzoxadiazole 1-oxide (EC: 700-179-1)
Hazard Classes and CategoriesExpl. 1.1 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS01,GHS07
- Hazard statements
- H315+H320-H302-H201
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P210-P230-P240-P250-P280-P370+P380-P372-P373-P401-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,1,3-Benzoxadiazole, 4,6-dinitro-, 1-oxide: ACTIVE
Upstream & downstream products
Downstream products
Suppliers7 total
杭州品高化工有限公司0571-87658025 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
SelectLab Chemicals GmbH+49-(0)2383-919350 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…