Sulfide, bis(2,4-dinitrophenyl)

HCID 95960CAS 2253-67-0

기본 정보

표준 SMILES: O=[N+]([O-])c1ccc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIKey: DMIUPZAMXYQKBR-UHFFFAOYSA-N
분자식: C12H6N4O8S
평균 분자량: 366.27 g/mol
단동위원소 질량: 365.99063415

이름 및 식별자

우선 이름: Sulfide, bis(2,4-dinitrophenyl)
IUPAC: 1-(2,4-dinitrophenyl)sulfanyl-2,4-dinitrobenzene
영어명: Bis(2,4-dinitrophenyl) disulfide
분자식: C12H6N4O8S
분자량: 366.26

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 209 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 9
회전 가능 결합 수: 2
무거운 원자 수: 25
형식 전하: 0
복잡도: 505

안전 및 규제

GHS 분류

GHS Classification · 4건

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.