Basic information
- CAS
20062-22-0- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(C=Cc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1- InChIKey
YSIBQULRFXITSW-UHFFFAOYSA-N- Molecular formula
- C14H6N6O12
- Average molar mass
- 450.23 g/mol
- Monoisotopic mass
- 450.00436963
Overview
Hexanitrostilbene appears as an explosive. May explode under prolonged exposure to heat. Primary hazard is the blast effect of an instantaneous explosion and not flying projectiles and fragments. Forms yellow crystals.
Names & identifiers
- Preferred name
- 2,2',4,4',6,6'-Hexanitrostilbene
- IUPAC
- 1,3,5-trinitro-2-[2-(2,4,6-trinitrophenyl)ethenyl]benzene
Names & synonyms
20062-22-0Benzene, 1,1'-(1,2-ethenediyl)bis[2,4,6-trinitro-Benzene, 1,1'-(1,2-ethenediyl)bis(2,4,6-trinitro-RefChem:10588282,2',4,4',6,6'-Hexanitrostilbene1,3,5-trinitro-2-[2-(2,4,6-trinitrophenyl)ethenyl]benzeneSCHEMBL700148DTXSID108649182,2',4,4'6,6'-Hexanitrostilbene2,4,6,2',4',6'-hexanitrostilbene1,1'-(Ethene-1,2-diyl)bis(2,4,6-trinitrobenzene)1,1a(2)-(1,2-Ethenediyl)bis[2,4,6-trinitrobenzene]
Database identifiers
- CAS
20062-22-0- PubChem CID
- 253628
- DTXSID
DTXSID10864918- EC Number
- 243-494-5
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 275 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 2
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 714
Experimental & physicochemical properties
Chemical ClassesOther Uses -> Explosives
SpringerMaterials PropertiesBoiling point
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionHexanitrostilbene appears as an explosive. May explode under prolonged exposure to heat. Primary hazard is the blast effect of an instantaneous explosion and not flying projectiles and fragments. Forms yellow crystals.
Safety & regulation
GHS classification
GHS Classification
Danger
H201 (59.2%): (Deleted) Explosive; mass explosion hazard [Danger Explosives]
P210, P230, P234, P236, P240, P250, P261, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, P370+P380, P370+P380+P375, P372, P373, P391, P401, P501, and P503 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzene, 1,1'-(1,2-ethenediyl)bis[2,4,6-trinitro-
Status: Active Update: 04-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/25943
Benzene, 1,1'-(1,2-ethenediyl)bis[2,4,6-trinitro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
DOT LabelExplosive 1.1D
Fire HazardsExcerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
Health HazardsExcerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
Hazards SummaryClassified as a 1.1 explosive (a mass explosion hazard); [MSDSonline]
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity AlertsExplosive
Reactivity Profile
HEXANITROSTILBENE may be considered an oxidizing agent. If mixed with reducing agents, including hydrides, sulfides and nitrides, may begin a vigorous reaction that culminates in a detonation. May explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents.
Chemistry & industry
Uses & manufacturing
UsesForbidden: Transport of Hexanitrostilbene by cargo aircraft or passenger aircraft/rail; [HMT]
General Manufacturing InformationBenzene, 1,1'-(1,2-ethenediyl)bis[2,4,6-trinitro-: ACTIVE
Related reactions
10 records
Compound notes
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