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

HCID 253628
ノート反応

データを補完しています。通常は 1 分以内に完了します

部分構造検索類似構造を探す

基本情報

CAS
20062-22-0
標準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
分子式
C14H6N6O12
平均分子量
450.23 g/mol
単同位体質量
450.00436963

概要

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.

名称と識別子

優先名称
2,2',4,4',6,6'-Hexanitrostilbene
IUPAC
1,3,5-trinitro-2-[2-(2,4,6-trinitrophenyl)ethenyl]benzene

名称と別名

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]

データベース識別子

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

物性

構造計算による物性補完中

XLogP
3.2
極性表面積
275 Ų
水素結合供与体数
0
水素結合受容体数
12
回転可能結合数
2
重原子数
32

実験および物理化学的性質

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.

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 3 件

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

安全と保護具

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]:

法規制情報

DHS Chemicals of Interest (COI) · 6 件

Hexanitrostilbene

A Commercial Grade

5000

A Commercial Grade

400

Explosive chemical that can be released at a facility.

化学と産業

用途と製造

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

関連反応

10 件
反応記録を作成

化合物ノート

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