1,3-Difluoro-2-nitrobenzene

1,3-DIFLUORO-2-NITROBENZENE · 2,6-Difluoronitroben · 6-Difluoronitrobenzene · 2,6-Difluoronitrobenzne · 2,6-DIFLUORONITROBENZENE · 1,3-Difluor-2-nitrobenzol · 2,6-Difluoro-1-nitrobenzene · 2,6-Difluoronitrobenzene98%

https://huagongshe.com/ko/chemical/87922

식별자 및 물리적 특성

CAS No.	19064-24-5
분자식	C6H3F2NO2
평균 분자량	159.09 g/mol
단동위원소 질량	159.01318478 g/mol
SMILES	O=[N+]([O-])c1c(F)cccc1F
InChIKey	SSNCMIDZGFCTST-UHFFFAOYSA-N
PubChem CID	87922
EC No.	242-793-8
DTXSID	DTXSID00172559

화학 및 물리적 성질

XLogP	2
극성 표면적	45.8
수소 결합 공여자 수	0
수소 결합 수용자 수	4
회전 가능 결합 수	0
무거운 원자 수	11
형식 전하	0
복잡도	149
SpringerMaterials Properties	15N nuclear magnetic resonance spectrum
녹는점	0C
끓는 점	91-92 °C/11 mmHg (lit.)
밀도	1.503 g/mL at 25 °C (lit.)
굴절률	n20/D 1.494(lit.)
인화점	190 °F
저장 조건	Inert atmosphere,Room Temperature
물리적 상태	powder to lump to clear liquid
색상	Light yellow to Yellow to Green
용해도	물에 약간 용해됩니다.
InChI	InChI=1S/C6H3F2NO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H
InChIKey	SSNCMIDZGFCTST-UHFFFAOYSA-N
SMILES	C1(F)=CC=CC(F)=C1[N+]([O-])=O

화학적 성질

Light yellow to dark yellow solid

안전 및 규제

GHS 분류	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
수질 위해 등급(WGK)	3
관세 코드	29049090
위험 문구(R)	10-36/37/38
위험 표시	Xi
안전 문구(S)	16-26-36-37/39
위험 참고 사항	Irritant
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids

용도

2,6-Difluoronitrobenzene may be used in the preparation of secondary amine precursors, required for the synthesis of two families of nitric oxide donors.

일반 설명

2,6-Difluoronitrobenzene is an organic building block. Molecular structure, conformation and potential to internal rotation of 2,6-difluoronitrobenzene been studied by gas-phase electron diffraction (GED), MP2 ab initio, and by B3LYP density functional calculations.