2,2',4,4',6,6'-Hexanitrostilbene

HCID 253628CAS 20062-22-0
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Grundinformationen

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
Summenformel
C14H6N6O12
Durchschnittliche Molmasse
450,23 g/mol
Monoisotopische Masse
450,00436963

Überblick

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.

Namen und Bezeichner

Bevorzugter Name
2,2',4,4',6,6'-Hexanitrostilbene
IUPAC
1,3,5-trinitro-2-[2-(2,4,6-trinitrophenyl)ethenyl]benzene

Namen und Synonyme

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]

Datenbank-Bezeichner

CAS
20062-22-0
PubChem CID
253628
DTXSID
DTXSID10864918
EC Number
243-494-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,2
Polarare Oberfläche (TPSA)
275 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
12
Frei drehbare Bindungen
2
Schwere Atome
32

Experimentelle und physikochemische Eigenschaften

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.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

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

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
First AidExcerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
Nonfire Spill ResponseExcerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
Isolation and EvacuationExcerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:

Regulatorische Informationen

DHS Chemicals of Interest (COI) · 6 Einträge

Hexanitrostilbene

A Commercial Grade

5000

A Commercial Grade

400

Explosive chemical that can be released at a facility.

Chemie und Industrie

Verwendung und Herstellung

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

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