4-Bromo-3-nitrobenzaldehyde

AKOS B028535 · CAS:163596-75-6 · TIMTEC-BB SBB009829 · ART-CHEM-BB B028535 · 4-Bromo-3-nitro-benzaldehyde · Benzaldehyde,4-broMo-3-nitro- · 4-Bromo-3-nitrobenzaldehyde 97% · 3 - Nitro -4- BroMobenzaldehyde

https://huagongshe.com/ko/chemical/808792

식별자 및 물리적 특성

CAS No.	163596-75-6
분자식	C7H4BrNO3
평균 분자량	230.02 g/mol
단동위원소 질량	228.93746 g/mol
SMILES	O=Cc1ccc(Br)c([N+](=O)[O-])c1
InChIKey	SAFSVELFSYQXOV-UHFFFAOYSA-N
PubChem CID	808792
EC No.	626-849-2
DTXSID	DTXSID50355613

화학 및 물리적 성질

XLogP	2
극성 표면적	62.9
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	1
무거운 원자 수	12
형식 전하	0
복잡도	192
녹는점	104-108 °C (lit.)
끓는 점	289.3±30.0 °C(Predicted)
밀도	1.781±0.06 g/cm3(Predicted)
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
물리적 상태	powder to crystal
색상	White to Light red to Green
InChI	InChI=1S/C7H4BrNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H
InChIKey	SAFSVELFSYQXOV-UHFFFAOYSA-N
SMILES	C(=O)C1=CC=C(Br)C([N+]([O-])=O)=C1

안전 및 규제

GHS 분류	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (95.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H400 (95.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Skin Sens. 1 (95.2%)Eye Irrit. 2 (100%)STOT SE 3 (97.6%)Aquatic Acute 1 (95.2%)
수질 위해 등급(WGK)	3
운송 번호(UN)	UN 3077 9 / PGIII
관세 코드	2913000090
위험 문구(R)	36/37/38-50-43-38-22
위험 표시	Xi
안전 문구(S)	26-36-61-45-36/37
위험 등급	Aquatic Acute 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
저장 분류	11 - Combustible Solids

용도

4-Bromo-3-nitrobenzaldehyde is a benzaldehyde derivative, mainly used as an intermediate component in organic synthesis. It can be used to prepare 4-Bromo-3-chlorobenzoic acid and other benzoic acid compounds.