Basic information
- CAS
15805-42-2- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1[O-].[Ba+2]- InChIKey
ZACISHMWZUXBDS-UHFFFAOYSA-L- Molecular formula
- C6HBaN3O8
- Average molar mass
- 380.41 g/mol
- Monoisotopic mass
- 380.881611
Names & identifiers
- Preferred name
- Barium styphnate
- IUPAC
- barium(2+);2,4,6-trinitrobenzene-1,3-diolate
- English name
- barium 2,4,6-trinitroresorcinolate
- Molecular formula
- C14H6BaN6O20
- Molecular weight
- 715.55264
Names & synonyms
Barium styphnateRefChem:56103815805-42-21,3-Benzenediol, 2,4,6-trinitro-, barium salt (1:1)barium(2+);2,4,6-trinitrobenzene-1,3-diolateBarium 2,4,6-trinitroresorcinolateEINECS 239-904-7SCHEMBL3477551DTXSID9065948ZACISHMWZUXBDS-UHFFFAOYSA-LNS00087533Barium 2,4,6-trinitrobenzene-1,3-bis(olate)
Show more names
BARIUMSTYPHNATEBARIUM 2,4,6-TRINITRORESORCINOL2,4,6-Trinitro-1,3-phenylenedioxybariumBarium 2,4,6-trinitro-1,3-benzenediolate
Database identifiers
- CAS
15805-42-2- PubChem CID
- 85116
- DTXSID
DTXSID9065948- EC Number
- 239-904-7
- Nikkaji
- J248.771C
Properties
Computed structural properties
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 317
Experimental & physicochemical properties
Chemical ClassesOther Uses -> Explosives
Physical DescriptionOrange-yellow crystals; [CAMEO] Solubility--no data found;
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3-Benzenediol, 2,4,6-trinitro-, barium salt (1:1) (15805-42-2)
- RIDADR
- 473 · 0473
- TSCA
- TSCA listed
- HazardClass
- 1.1 A · 1.1A
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 Summary
Dry material may explode after shock, heat, or friction; [CAMEO] Emits nitrogen oxides when heated to decomposition; [Sax] A worker suffered acute barium poisoning after an explosion of barium styphnate. [Reference #1] Styphnic acid is 2,4,6-trinitroresorcinol and has a CAS # of 82-71-3. It is used as a priming agent in explosives. [Hawley] See Styphnic acid. See Barium.
Safety & protection
Exposure Control and Personal Protection0.5 [mg/m3], as Ba, inhalable fraction(soluble compds)[German Research Foundation (DFG)]
Threshold Limit Values (TLV)0.5 [mg/m3], as Ba
Permissible Exposure Limit (PEL)0.5 [mg/m3], as Ba
Immediately Dangerous to Life or Health (IDLH)50.0 [mg/m3], as Ba
Toxicology
Adverse EffectsACGIH Carcinogen - Not Classifiable.
Safety data
- tsca
- TSCA listed
- ridadr
- 0473
- hazard_class
- 1.1A
Chemistry & industry
Uses & manufacturing
Uses
A dangerous explosive; Keep spilled material wet; [CAMEO]
Transport of Substances, explosive, N.O.S. (UN0473) is restricted to not more than 2000 kg on a road vehicle. [TDG]
General Manufacturing Information1,3-Benzenediol, 2,4,6-trinitro-, barium salt (1:1): ACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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