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

HCID 253628CAS 20062-22-0

기본 정보

표준 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
분자식: C14H6N6O12
평균 분자량: 450.23 g/mol
단동위원소 질량: 450.00436963

개요

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.

이름 및 식별자

우선 이름: 2,2',4,4',6,6'-Hexanitrostilbene
IUPAC: 1,3,5-trinitro-2-[2-(2,4,6-trinitrophenyl)ethenyl]benzene

이름 및 동의어

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]

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 275 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 12
회전 가능 결합 수: 2
무거운 원자 수: 32
형식 전하: 0
복잡도: 714

실험 및 물리화학적 성질

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.

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 3건

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

안전 및 보호

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]:

규제 정보

DHS Chemicals of Interest (COI) · 6건

Hexanitrostilbene

A Commercial Grade

5000

A Commercial Grade

400

Explosive chemical that can be released at a facility.

화학 및 산업

용도 및 제조

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

연결된 노트

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