2,2'-Dihydroxy-4'-sulfo-1,1'-azonaphthalin-3-carbonsure

Calcium carboxylic acid indicator · HHSNN · HHSNNA · Kalces · CAL RED · CAL-RED(R) · NN【Dotite】 · NN Solution

Identifikatoren & physikalische Daten

CAS No.	3737-95-9
Summenformel	C21H14N2O7S
Durchschnittliche Molmasse	438,4 g/mol
Monoisotopische Masse	438,05217179 g/mol
SMILES	O=C(O)c1cc2ccccc2c(N=Nc2c(O)cc(S(=O)(=O)O)c3ccccc23)c1O
InChIKey	MVQBFZXBLLMXGS-UHFFFAOYSA-N
PubChem CID	77330
ChEMBL	CHEMBL331220
DTXSID	DTXSID5063156
Lokaler Name	2,2'-Dihydroxy-4'-sulfo-1,1'-azonaphthalin-3-carbonsure

XLogP	4,3
Polarare Oberfläche (TPSA)	165
H-Brücken-Donoren	4
H-Brücken-Akzeptoren	9
Frei drehbare Bindungen	4
Schwere Atome	31
Formalladung	0
Komplexität	798
Schmelzpunkt	300 °C(lit.)
Dichte	1.60±0.1 g/cm3(Predicted)
Lagerbedingungen	room temp
Löslichkeit	1 M NaOH: 10mg/mLslightly soluble
Aggregatzustand	Powder
pKa (Säurekonstante)	-0.50±0.40(Predicted)
Farbe	Very dark purple to black
Geruch	Odorless
BRN	727492
Stabilität	Stable. Incompatible with strong oxidizing agents.
Hauptanwendungen	diagnostic assay manufacturinghematologyhistology
InChI	1S/C21H14N2O7S/c24-16-10-17(31(28,29)30)13-7-3-4-8-14(13)18(16)22-23-19-12-6-2-1-5-11(12)9-15(20(19)25)21(26)27/h1-10,24-25H,(H,26,27)(H,28,29,30)/b23-22-
InChIKey	MVQBFZXBLLMXGS-FCQUAONHSA-N
SMILES	OC(=O)c1cc2ccccc2c(N=Nc3c(O)cc(c4ccccc34)S(O)(=O)=O)c1O
CAS Datenbank	3737-95-9(CAS DataBase Reference)
EPA chemische Informationen	2-Naphthalenecarboxylic acid, 3-hydroxy-4-[(2-hydroxy-4-sulfo-1-naphthalenyl)azo]- (3737-95-9)

Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
Zollcode	29270000
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36-37/39
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Eye Irrit. 2Skin Irrit. 2STOT SE 3

Calconcarboxylic acid is used as an indicator for calcium titrations with ethylenediaminetetraacetic acid (EDTA) in the presence of magnesium.