Basic information
- CAS
3470-17-5- Standard SMILES
[O-][n+]1onc2c1c1no[n+]([O-])c1c1no[n+]([O-])c21- InChIKey
ROSQKRBIBODSRH-UHFFFAOYSA-N- Molecular formula
- C6N6O6
- Average molar mass
- 252.1 g/mol
- Monoisotopic mass
- 251.98793174
Names & identifiers
- Preferred name
- Benzenetrifuroxan
- IUPAC
- 3,8,13-trioxido-4,9,14-trioxa-5,10,15-triaza-3,8,13-triazoniatetracyclo[10.3.0.02,6.07,11]pentadeca-1(15),2,5,7,10,12-hexaene
- English name
- Benzotrifuroxan
- Molecular formula
- C6N6O6
- Molecular weight
- 252.1
Names & synonyms
BenzenetrifuroxanBenzo[1,2-c:3,4-c':5,6-c'']tris[1,2,5]oxadiazole, 1,4,7-trioxideDTXSID8063046BENZO(1,2-c:3,4-c':5,6-c'')TRIS(1,2,5)OXADIAZOLE, 1,4,7-TRIOXIDEBenzotris(c)furazan2oxideRefChem:565088DTXCID4038893Benzotris(1,2,5)oxadiazole, 1,4,7trioxideBenzo(1,2c:3,4c':5,6c'')tris(1,2,5)oxadiazole, 1,4,7trioxideBenzotrifuroxan3470-17-5Benzotrifuroxane
Show more names
Benzotri(furazan N-oxide)Benzo[1,2-c:3,4-c':5,6-c'']tris[1,2,5]oxadiazole 1,4,7-trioxide
BTFBenzotris(c)furazan-2-oxideBRN 0051220Benzotris(1,2,5)oxodiazole, 1,4,7-trioxide4-27-00-09725 (Beilstein Handbook Reference)SCHEMBL1375505CHEMBL3951400AKOS016347468
Database identifiers
- CAS
3470-17-5- PubChem CID
- 18982
- DTXSID
DTXSID8063046- ChEMBL
CHEMBL3951400- Nikkaji
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 303
Experimental & physicochemical properties
Chemical ClassesOther Uses -> Explosives
Physicochemical properties
- Melting point
- 194.5 °C · 194.5°C
- Density
- 1.5361 · 1.5361 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
- color
- Prisms from AcOH (aq) or EtOH/EtOAc
- EPA Substance Registry System
- 1 · Benzo[1,2-c:3,4-c':5,6-c'']tris[1,2,5]oxadiazole, 1,4,7-trioxide (3470-17-5)
- RIDADR
- 473 · 0473
- TSCA
- TSCA listed
- HazardClass
- 1.1 A · 1.1A
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 2884 mg/kg NTIS** DE83013231
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryA mild skin and severe eye irritant; Causes somnolence and effects on food intake in oral lethal-dose studies of rats; [RTECS]
Safety data
- tsca
- TSCA listed
- ridadr
- 0473
- Toxicity
- LD50 orl-rat: 2884 mg/kg NTIS** DE83013231
- hazard_class
- 1.1A
Chemistry & industry
Uses & manufacturing
UsesBenzenetrifuroxan is a powerful explosive which was first synthesized by Turec in 1931 . . [Organic Chemistry of Explosives. JP Agrawal, R Hodgson. P. 302]
General Manufacturing InformationBenzo[1,2-c:3,4-c':5,6-c'']tris[1,2,5]oxadiazole, 1,4,7-trioxide: ACTIVE
Suppliers2 total
广东泛普生物科技有限公司19513720913 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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