4,5-Difluorophthalic Acid

DK7703 · 4,5-Difluorophthalicaci · Ethyl Acetate Impurity 5 · 4,5-Difluorophthalic acid · 4,5-difluorobenzene-1,2-dioic acid · 4,5-Difluorobenzene-1,2-dicarboxylic acid · 1,2-Benzenedicarboxylic acid, 4,5-difluoro-

https://huagongshe.com/de/chemical/643382

Molekülstruktur von 4,5-Difluorophthalic Acid

Identifikatoren & physikalische Daten

CAS No.	18959-31-4
Summenformel	C8H4F2O4
Durchschnittliche Molmasse	202,11 g/mol
Monoisotopische Masse	202,00776505 g/mol
SMILES	O=C(O)c1cc(F)c(F)cc1C(=O)O
InChIKey	FFSBOABNRUJQFW-UHFFFAOYSA-N
PubChem CID	643382
EC No.	889-179-1
DTXSID	DTXSID80349161

Chemische & physikalische Eigenschaften

XLogP	1,2
Polarare Oberfläche (TPSA)	74,6
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	6
Frei drehbare Bindungen	2
Schwere Atome	14
Formalladung	0
Komplexität	230
SpringerMaterials Properties	13C nuclear magnetic resonance spectrum
Schmelzpunkt	161.5-162 °C
Siedepunkt	378.7±42.0 °C(Predicted)
Dichte	1.644±0.06 g/cm3(Predicted)
Lagerbedingungen	Sealed in dry,Room Temperature
pKa (Säurekonstante)	2.55±0.10(Predicted)
InChI	InChI=1S/C8H4F2O4/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h1-2H,(H,11,12)(H,13,14)
InChIKey	FFSBOABNRUJQFW-UHFFFAOYSA-N
SMILES	C1(C(O)=O)=CC(F)=C(F)C=C1C(O)=O

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Zollcode	2917399590

Anwendungen & Verwendung

Verwenden

4,5-difluorophthalic acid can be used to prepare a polyguanidine bactericidal compound miscible with anionic surfactants. 4,5-difluorophthalic acid is used to modify the PHMB molecule so that it has multiple carboxyl groups at the ends and has amphoteric surfactant properties.