1-Bromo-2,4-dinitrobenzene

2,4-DINITROBROMOBENZENE · NSC 3808 · 2，4-DinRrobromobenzene · 2,4-Nitrophenyl bromide · o,p-dinitrophenylbromide · 2,4-dinitrophenylbromide · 1-BROMO-2,4-DINITROBENZE · 4-Bromo-1,3-dinitrobenzene

https://huagongshe.com/ko/chemical/11441

식별자 및 물리적 특성

CAS No.	584-48-5
분자식	C6H3BrN2O4
평균 분자량	247 g/mol
단동위원소 질량	245.92761868 g/mol
SMILES	O=[N+]([O-])c1ccc(Br)c([N+](=O)[O-])c1
InChIKey	PBOPJYORIDJAFE-UHFFFAOYSA-N
PubChem CID	11441
ChEBI	CHEBI:58999
EC No.	209-539-8
DTXSID	DTXSID3060403

화학 및 물리적 성질

XLogP	2.2
극성 표면적	91.6
수소 결합 공여자 수	0
수소 결합 수용자 수	4
회전 가능 결합 수	0
무거운 원자 수	13
형식 전하	0
복잡도	224
물질 분류	Nitrogen Compounds -> Nitros, Aromatic
SpringerMaterials Properties	Chemical shift
Physical Description	Yellow powder[Aldrich MSDS]
녹는점	71-73 °C(lit.)
끓는 점	288℃
밀도	1.910
굴절률	1.6100 (estimate)
인화점	128℃
용해도	클로로포름, 메탄올(약간)에 용해됨
물리적 상태	powder to crystal
색상	White to Yellow to Green
용해도	물에 용해됩니다(부분적으로 혼화됨).
InChI	InChI=1S/C6H3BrN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
InChIKey	PBOPJYORIDJAFE-UHFFFAOYSA-N
SMILES	C1(Br)=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O
EPA	Benzene, 1-bromo-2,4-dinitro- (584-48-5)

화학적 성질

YELLOW CRYSTALLINE SOLID

안전 및 규제

GHS 분류	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Benzene, 1-bromo-2,4-dinitro-: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	A skin and strong eye irritantMay cause skin sensitization and methemoglobinemia[Aldrich MSDS] See 1-Bromo-4-nitrobenzene. See 1-Chloro-2,6-dinitrobenzene and 1-Chloro-2,4-dinitrobenzene.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
유해 작용	Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
RTECS 번호	CY9021500
운송 번호(UN)	UN3459
관세 코드	29049090
위험 문구(R)	36/37/38-43
위험 표시	Xi
안전 문구(S)	26-36-36/37
포장분류	III
위험 등급	6.1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
저장 분류	11 - Combustible Solids

용도

1-Bromo-2,4-dinitrobenzene has been used in the preparation of 2,4-dinitrophenol via treatment with KO2-crown ether complex in benzene. It is used as substrate in protein determination and glutathione S-transferase (GST) assay of chicken and rat prostaglandin D2 synthase (PGDS).