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Calconcarboxylic acid

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Calconcarboxylic acid Basic information
Product Name:Calconcarboxylic acid
Synonyms:2-Hydroxy[(2-hydroxy-4-sulpho-1-naphthalene)azo]naphthalene-3-carboxylicacid;2-naphthalenecarboxylicacid,3-hydroxy-4-[(2-hydroxy-4-sulfo-1-naphthalenyl)az;3-HYDROXY-4-(2-HYDROXY-4-SULFO-1-NAPHTHYLAZO)-2-NAPHTHALENECARBOXYLIC ACID;3-HYDROXY-4-(2-HYDROXY-4-SULFO-1-NAPHTHYLAZO)NAPHTHALENE-2-CARBOXYLIC ACID;2-HYDROXY-1-(2'-HYDROXY-4'-SULFO-1'-NAPHTHYLAZO)-3-NAPHTHOIC ACID;2-HYDROXY-1-(2-HYDROXY-4-SULFO-1-NAPHTHYLAZO)-3-NAPHTHOIC ACID;2-HYDROXY-1-(2-HYDROXY-4-SULFO-1-NAPHTHYLAZO)-NAPHTHALENE-3-CARBOXYLIC ACID;2-HYDROXY-1-(2-HYDROXY-4-SULPHO-1-NAPHTHYLAZO)-3-NAPHTHOIC ACID
CAS:3737-95-9
MF:C21H14N2O7S
MW:438.41
EINECS:223-117-0
Product Categories:Analytical Chemistry;Azo Compounds;Chelating Reagents;Naphthylazo Compounds
Mol File:3737-95-9.mol
Calconcarboxylic acid Structure
Calconcarboxylic acid Chemical Properties
Melting point 300 °C(lit.)
density 1.60±0.1 g/cm3(Predicted)
bulk density400kg/m3
storage temp. room temp
solubility 1 M NaOH: 10mg/mL
form Powder
pka-0.50±0.40(Predicted)
color Very dark purple to black
OdorOdorless
Water Solubility slightly soluble
BRN 727492
Stability:Stable. Incompatible with strong oxidizing agents.
Major Applicationdiagnostic assay manufacturing
hematology
histology
InChI1S/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-
InChIKeyMVQBFZXBLLMXGS-FCQUAONHSA-N
SMILESOC(=O)c1cc2ccccc2c(N=Nc3c(O)cc(c4ccccc34)S(O)(=O)=O)c1O
CAS DataBase Reference3737-95-9(CAS DataBase Reference)
EPA Substance Registry System2-Naphthalenecarboxylic acid, 3-hydroxy-4-[(2-hydroxy-4-sulfo-1-naphthalenyl)azo]- (3737-95-9)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36-37/39
WGK Germany 3
TSCA TSCA listed
HS Code 29270000
Storage Class11 - Combustible Solids
Hazard ClassificationsEye Irrit. 2
Skin Irrit. 2
STOT SE 3
MSDS Information
ProviderLanguage
SigmaAldrich English
ACROS English
ALFA English
Calconcarboxylic acid Usage And Synthesis
Chemical Propertiesdark violet powder
UsesCalconcarboxylic acid is used as an indicator for calcium titrations with ethylenediaminetetraacetic acid (EDTA) in the presence of magnesium.
Purification MethodsPurify it via its p-toluidinium salt, viz: dissolve the dye in warm 20% aqueous MeOH, treat with an equivalent of p-toluidine and cool to precipitate the salt. Finally recrystallise the acid from hot water. [Itoh & Ueno Analyst (London) 95 583 1970.] It is an indicator and complexes with Ca2+ in presence of Mg2+ and other metal ions [Patton & Reeder Anal Chem 28 1026 1956, Prentoe & Prentoe Analyst 106 227 1981].
Calconcarboxylic acid Preparation Products And Raw materials
Raw materialsBenzene-->Phenol-->Benzoic acid
Preparation ProductsCalconcarboxylic acid sodium salt
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