4-Bromo-3-nitroanisole

1-Bromo-4-methoxy-2-nitrobenzene · TIMTEC-BB SBB009974 · 4-Brom-3-nitroanisol · 4-Bromo-3-nitroanisol · 4-BROMO-3-NITROANISOLE · 4-Bromo-3-nitroanlsole · 4-BROMO-3-NITROTHIOANISOLE · 4-Bromo-3-nitroanisole >4-bromo-3-nitrobenzyl ether

https://huagongshe.com/ko/chemical/79288

식별자 및 물리적 특성

CAS No.	5344-78-5
분자식	C7H6BrNO3
평균 분자량	232.03 g/mol
단동위원소 질량	230.95310515 g/mol
SMILES	COc1ccc(Br)c([N+](=O)[O-])c1
InChIKey	KCOBIBRGPCFIGF-UHFFFAOYSA-N
PubChem CID	79288
EC No.	226-290-0
DTXSID	DTXSID90201605

화학 및 물리적 성질

XLogP	2.5
극성 표면적	55.1
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	1
무거운 원자 수	12
형식 전하	0
복잡도	171
녹는점	32-34 °C (lit.)
끓는 점	153-154 °C/13 mmHg (lit.)
밀도	1.8134 (rough estimate)
굴절률	1.6090 (estimate)
인화점	>230 °F
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
물리적 상태	powder to lump to clear liquid
색상	White or Colorles to Yellow to Orange
BRN	2446617
InChI	InChI=1S/C7H6BrNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
InChIKey	KCOBIBRGPCFIGF-UHFFFAOYSA-N
SMILES	C1(Br)=CC=C(OC)C=C1[N+]([O-])=O
NIST	4-Bromo-3-nitroanisole(5344-78-5)

화학적 성질

Yellow to dark brown 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 8 reports by companies from 3 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	29093090
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36-24/25
저장 분류	11 - Combustible Solids

용도

4-Bromo-3-nitroanisole was used in the synthesis of:4-bromo-5-methoxyaniline2-(4-methoxy-2-nitrophenylsulfanyl)benzoic acid4-(1-diethylamino-4-pentylamino)-3-nitrochlorobenzene

일반 설명

FT-IR and FT-Raman spectra of 4-bromo-3-nitroanisole have been studied.