9,10-Anthracenedione, 1,5-dinitro-

1,5-dinitroguanidine · 1,5-dinitroanthrachinon · 1,5-DINITROANTHRAOUINONE · 1,5-dinitro-anthraquinon · 1,5-Dinitroanthraquinone · 1 5-Dinitroanthraquinone 97 · 1,5-dinitro-9,10-anthraquinone · 1,5-dinitro-10-anthracenedione

https://huagongshe.com/ko/chemical/6705

9,10-Anthracenedione, 1,5-dinitro- 분자 구조식

식별자 및 물리적 특성

CAS No.	82-35-9
분자식	C14H6N2O6
평균 분자량	298.21 g/mol
단동위원소 질량	298.02258591 g/mol
SMILES	O=C1c2cccc([N+](=O)[O-])c2C(=O)c2cccc([N+](=O)[O-])c21
InChIKey	XVMVHWDCRFNPQR-UHFFFAOYSA-N
PubChem CID	6705
EC No.	201-414-6
DTXSID	DTXSID4058869

화학 및 물리적 성질

XLogP	2.5
극성 표면적	126
수소 결합 공여자 수	0
수소 결합 수용자 수	6
회전 가능 결합 수	0
무거운 원자 수	22
형식 전하	0
복잡도	488
녹는점	250 °C (dec.) (lit.)
끓는 점	439.64°C (rough estimate)
밀도	1.4281 (rough estimate)
굴절률	1.5910 (estimate)
용해도	Acetonitrile (Very Slightly), DMSO (Slightly), Methanol (Very Slightly)
물리적 상태	고체
색상	연한 노란색에서 노란색까지
InChI	1S/C14H6N2O6/c17-13-7-3-1-5-9(15(19)20)11(7)14(18)8-4-2-6-10(12(8)13)16(21)22/h1-6H
InChIKey	XVMVHWDCRFNPQR-UHFFFAOYSA-N
SMILES	[O-][N+](=O)c1cccc2C(=O)c3c(cccc3[N+]([O-])=O)C(=O)c12
EPA	9,10-Anthracenedione, 1,5-dinitro- (82-35-9)

안전 및 규제

GHS 분류	WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard Classes and Categories	Eye Irrit. 2 (100%)
수질 위해 등급(WGK)	2
TSCA 등재 상태	TSCA listed
RTECS 번호	CB6950000
저장 분류	4.1A - Other explosive hazardous materials

용도

1,5-Dinitroanthraquinone has been used in a study to understand the effect of its oxygenous substituents on the color ratio, when it is a part of spectral flare compositions. It may be used to prepare 3,4,7,8-tetrabromo-1,5-dinitroanthraquinone via bromination using molecular bromine and nitric acid as a co-reagent.

일반 설명

1,5-Dinitroanthraquinone is formed as one of the products during the nitration of anthraquinone.