2,6-Difluorobenzaldehyde

TIMTEC-BB SBB006685 · 2,6-Difluorobenzalde · 2-6-Difluorbenzaldehyd · 2,6-fluorobenzaldehyde · 2,6-DIFLUOROBENZALDEHYDE · 2,6-difluorobenzaledehyde · 2,6-DIFLUORLOBENZALDEHYDE · 2,12-Difluoroacetophenone

https://huagongshe.com/de/chemical/136284

Molekülstruktur von 2,6-Difluorobenzaldehyde

Identifikatoren & physikalische Daten

CAS No.	437-81-0
Summenformel	C7H4F2O
Durchschnittliche Molmasse	142,1 g/mol
Monoisotopische Masse	142,02302107 g/mol
SMILES	O=Cc1c(F)cccc1F
InChIKey	SOWRUJSGHKNOKN-UHFFFAOYSA-N
PubChem CID	136284
EC No.	610-142-0
DTXSID	DTXSID40195909

Chemische & physikalische Eigenschaften

XLogP	1,6
Polarare Oberfläche (TPSA)	17,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	1
Schwere Atome	10
Formalladung	0
Komplexität	117
Schmelzpunkt	15-17 °C (lit.)
Siedepunkt	82-84 °C/15 mmHg (lit.)
Dichte	1.317 g/mL at 25 °C (lit.)
Dampfdruck	40.1-900hPa at 94.5-189℃
Brechungsindex	n20/D 1.502(lit.)
Flammpunkt	164 °F
Lagerbedingungen	2-8°C
Aggregatzustand	Liquid
Wichte	1.317
Farbe	Clear light yellow to bright yellow
BRN	1935273
InChI	1S/C7H4F2O/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
InChIKey	SOWRUJSGHKNOKN-UHFFFAOYSA-N
SMILES	Fc1cccc(F)c1C=O
LogP (Verteilungskoeffizient)	1.46 at 25℃ and pH2
Oberflächenspannung	73.1mN/m at 1g/L and 20℃
CAS Datenbank	437-81-0(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (94.2%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (94.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (92.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 52 reports by companies from 10 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.
Regulatorische Informationen	Chemical: Benzaldehyde, 2,6-difluoro-Status: Active Update: 14-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33390
Hazard Classes and Categories	Skin Irrit. 2 (94.2%)Eye Irrit. 2A (94.2%)STOT SE 3 (92.3%)
F	10-23
Wassergefährdungsklasse (WGK)	2
Zollcode	29130000
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36/37/39-37/39-36/37
Gefahrenklasse	IRRITANTAquatic Chronic 3Eye Dam. 1Skin Corr. 1C
Lagerklasse	8A - Combustible corrosive hazardous materials

Anwendungen & Verwendung

Verwenden

2,6-Difluorobenzaldehyde can be used as a reactant to synthesize: 5-Cyano-6-(2,6-difluorophenyl)-5,6-dihydro-2-thiouracil via one-pot cyclocondensation reaction with ethyl cyanoacetate and thiourea. 1-(2,6-Difluorobenzyl)-2-(2,6-difluorophenyl)-benzimidazole by reacting with 1,2-phenylenediamine in the presence of a catalytic amount of p-toluenesulfonic acid.(3E)-4-(2,6-Difluorophenyl)-3-buten-2-one by Wittig olefination reaction with acetylmethylidenetriphenyl phosphorane.Methyl 4-fluorobenzo[b]thiophene-2-carboxylate by treating with methyl thioglycolate in the presence of K2CO3.