2-Fluoro-4,5-dimethoxybenzaldehyde

2-FLUORO-4,5-DIMETHOXYBENZALDEHYDE · 6-FLUOROVERATRALDEHYDE · 6-Fluoroveratraldehyde,97% · 6-FLUOROVERATRALDEHYDE, 98+% · 3,4-DIMETHOXY-6-FLUOROBENZALDEHYDE · 6-Fluoro-3,4-dimethoxybenzaldehyde · 4,5-DIMETHOXY-2-FLUOROBENZALDEHYDE · Benzaldehyde,2-fluoro-4,5-dimethoxy-

https://huagongshe.com/de/chemical/603595

Molekülstruktur von 2-Fluoro-4,5-dimethoxybenzaldehyde

Identifikatoren & physikalische Daten

CAS No.	71924-62-4
Summenformel	C9H9FO3
Durchschnittliche Molmasse	184,16 g/mol
Monoisotopische Masse	184,05357237 g/mol
SMILES	COc1cc(F)c(C=O)cc1OC
InChIKey	IBBYQNVXKFMSSI-UHFFFAOYSA-N
PubChem CID	603595
EC No.	676-950-0
DTXSID	DTXSID50345312

Chemische & physikalische Eigenschaften

XLogP	1,4
Polarare Oberfläche (TPSA)	35,5
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	3
Schwere Atome	13
Formalladung	0
Komplexität	174
Schmelzpunkt	93-97 °C(lit.)
Siedepunkt	273.3±35.0 °C(Predicted)
Dichte	1.201±0.06 g/cm3(Predicted)
Lagerbedingungen	2-8°C, stored under nitrogen
Aggregatzustand	powder to crystal
Farbe	White to Light yellow
BRN	2109343
InChI	InChI=1S/C9H9FO3/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-5H,1-2H3
InChIKey	IBBYQNVXKFMSSI-UHFFFAOYSA-N
SMILES	C(=O)C1=CC(OC)=C(OC)C=C1F
CAS Datenbank	71924-62-4(CAS DataBase Reference)

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 6 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%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29122900
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
hazard_note	Irritant
Sicherheitshinweise (S)	26-36

Anwendungen & Verwendung

Verwenden

6-Fluoroveratraldehyde is used in the preparation of 6-[18F]fluoroveratraldehyde via nucleophilic aromatic substitution by [18F]fluoride. It is also used in the preparation of key metabolites of 6-fluoro-DOPA.