Sulfide, bis(2,4-dinitrophenyl)

HCID 95960CAS 2253-67-0

基本情報

標準SMILES: O=[N+]([O-])c1ccc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIKey: DMIUPZAMXYQKBR-UHFFFAOYSA-N
分子式: C12H6N4O8S
平均分子量: 366.27 g/mol
単同位体質量: 365.99063415

名称と識別子

優先名称: Sulfide, bis(2,4-dinitrophenyl)
IUPAC: 1-(2,4-dinitrophenyl)sulfanyl-2,4-dinitrobenzene
英語名: Bis(2,4-dinitrophenyl) disulfide
分子式: C12H6N4O8S
分子量: 366.26

名称と別名

Sulfide, bis(2,4-dinitrophenyl)Benzene, 1,1'-thiobis(2,4-dinitro-Benzene, 1,1'-thiobis[2,4-dinitro-BRN 2067338AI3-16371DTXSID00177044NSC 448064-06-00-01748 (Beilstein Handbook Reference)RefChem:889541DTXCID9099535620-953-1bis(2,4-dinitrophenyl)sulfane

名称をさらに表示

sulfide,bis(2,4-dinitrophenyl)Bis(2,4-dinitrophenyl) disulfide2,2',4,4'-TETRANITRODIPHENYL DISULFIDE

2253-67-02,4-dinitrophenyl sulfideCHEMBL204688NSC6330091-(2,4-dinitrophenyl)sulfanyl-2,4-dinitro-benzene1-(2,4-dinitrophenyl)sulfanyl-2,4-dinitrobenzeneNSC448061-[(2,4-Dinitrophenyl)sulfanyl]-2,4-dinitrobenzene

データベース識別子

CAS: 2253-67-0
PubChem CID: 95960
DTXSID: DTXSID00177044
ChEMBL: CHEMBL204688
EC Number: 620-953-1
Nikkaji: J3.113.408K

物性

構造計算による物性

XLogP: 3.3
極性表面積: 209 Å²
水素結合供与体数: 0
水素結合受容体数: 9
回転可能結合数: 2
重原子数: 25
形式電荷: 0
複雑度: 505

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.