2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoesure

4-DIETHYLAMINO-2-HYDROXYBENZOPHENONE-2'-CARBOXYLIC ACID · 2-(4-DiethyL · Einecs 227-370-8 · amino-2-hydroxybenzoyL · 4-Diethylaminoketone acid · Isosulfan Blue Impurity 17 · 4-Diethyl ketone acid (EBA) · Benzoic acid, o-(4-(diethylamino)salicyloyl)-

https://huagongshe.com/de/chemical/79878

Molekülstruktur von 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoesure

Identifikatoren & physikalische Daten

CAS No.	5809-23-4
Summenformel	C18H19NO4
Durchschnittliche Molmasse	313,3 g/mol
Monoisotopische Masse	313,13140809 g/mol
SMILES	CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1
InChIKey	FQNKTJPBXAZUGC-UHFFFAOYSA-N
PubChem CID	79878
ChEMBL	CHEMBL1241671
EC No.	227-370-8
DTXSID	DTXSID4027604
Lokaler Name	2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoesure

Chemische & physikalische Eigenschaften

XLogP	3,8
Polarare Oberfläche (TPSA)	77,8
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	6
Schwere Atome	23
Formalladung	0
Komplexität	421
Collision Cross Section	187.1 Å² [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID4027604]
Schmelzpunkt	180°C(dec.)(lit.)
Siedepunkt	537.1±45.0 °C(Predicted)
Dichte	1+-.0.06 g/cm3(Predicted)
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	soluble in Dimethylformamide
Aggregatzustand	powder to crystal
pKa (Säurekonstante)	3.27±0.36(Predicted)
Farbe	White to Light yellow to Light red
InChI	InChI=1S/C18H19NO4/c1-3-19(4-2)12-9-10-15(16(20)11-12)17(21)13-7-5-6-8-14(13)18(22)23/h5-11,20H,3-4H2,1-2H3,(H,22,23)
InChIKey	FQNKTJPBXAZUGC-UHFFFAOYSA-N
SMILES	C(O)(=O)C1=CC=CC=C1C(=O)C1=CC=C(N(CC)CC)C=C1O
CAS Datenbank	5809-23-4(CAS DataBase Reference)
EPA chemische Informationen	Benzoic acid, 2-[4-(diethylamino)-2-hydroxybenzoyl]- (5809-23-4)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 98.1% (104 of 106) of all reports.Not ClassifiedAggregated GHS information provided per 106 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard Classes and Categories	Not Classified
Wassergefährdungsklasse (WGK)	WGK 3
TSCA-Inventar-Status	TSCA listed
Zollcode	29163990
RTECS-Nr.	DG8545700
R-Sätze (R)	36/37/38
Sicherheitshinweise (S)	26-36/37/39
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

2-(4-diethylamino-2-hydroxybenzoyl)benzoic acid could synthesize a novel fluorescent matrix, a hybrid (CzR) of carbazole, i.e. 2-hydroxycarbazole and rhodamine according to acid-promoted Friedel-Crafts acylation procedure with 2-hydroxycarbazole[1].