5-Bromo-2,4-dimethoxybenzaldehyde

SBB000845 · ZINC00028461 · 292516_ALDRICH · ASISCHEM R31004 · TIMTEC-BB SBB000845 · 5-BROMO-2,4-DIMETHOXYBENZALDEHYDE · benzaldehyde, 5-bromo-2,4-dimethoxy- · 5-Bromo-2,4-dimethoxybenzaldehyde 99%

https://huagongshe.com/de/chemical/668346

Molekülstruktur von 5-Bromo-2,4-dimethoxybenzaldehyde

Identifikatoren & physikalische Daten

CAS No.	130333-46-9
Summenformel	C9H9BrO3
Durchschnittliche Molmasse	245,07 g/mol
Monoisotopische Masse	243,97350625 g/mol
SMILES	COc1cc(OC)c(C=O)cc1Br
InChIKey	PXDIELLGFUEAIX-UHFFFAOYSA-N
PubChem CID	668346
EC No.	625-727-6
DTXSID	DTXSID50349916

Chemische & physikalische Eigenschaften

XLogP	2
Polarare Oberfläche (TPSA)	35,5
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	3
Schwere Atome	13
Formalladung	0
Komplexität	174
Schmelzpunkt	140-141 °C (lit.)
Siedepunkt	344.3±37.0 °C(Predicted)
Dichte	1.482±0.06 g/cm3(Predicted)
Lagerbedingungen	2-8°C, stored under nitrogen
Aggregatzustand	solid
InChI	InChI=1S/C9H9BrO3/c1-12-8-4-9(13-2)7(10)3-6(8)5-11/h3-5H,1-2H3
InChIKey	PXDIELLGFUEAIX-UHFFFAOYSA-N
SMILES	C(=O)C1=CC(Br)=C(OC)C=C1OC

Sicherheit & Vorschriften

GHS-Einstufung	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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	3
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36
Gefahrenklasse	IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

5-Bromo-2,4-dimethoxybenzaldehyde has been used in the preparation of 1,2-dihydro-4,6-dimethoxy-3-methylbenzocyclobuten-1-ol.