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3737-95-9
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???(??):
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Calconcarboxylic acid
???(??):
Calcium carboxylic acid indicator;HHSNN;HHSNNA;Kalces;CAL RED;NN【Dotite】;CAL-RED(R);NN Solution;medium: solid;Calcium carboxylate
CBNumber:
CB9270734
???:
C21H14N2O7S
??? ??:
438.41
MOL ??:
3737-95-9.mol
MSDS ??:
SDS

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???
300 °C(lit.)
??
1.60±0.1 g/cm3(Predicted)
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400kg/m3
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room temp
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1 M NaOH: 10mg/mL
??? ??
??
?? ?? (pKa)
-0.50±0.40(Predicted)
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BRN
727492
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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 ??????
3737-95-9(CAS DataBase Reference)
EPA
2-Naphthalenecarboxylic acid, 3-hydroxy-4-[(2-hydroxy-4-sulfo-1-naphthalenyl)azo]- (3737-95-9)
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  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xi
?? ???? ?? 36/37/38
????? 26-36-37/39
WGK ?? 3
TSCA TSCA listed
HS ?? 29270000
???? ??? 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
????(GHS): Exclamation Mark (GHS07)
?? ?: Warning
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?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? P264, P280, P302+P352, P321,P332+P313, P362
H319 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 2A ?? P264, P280, P305+P351+P338,P337+P313P
H335 ?? ???? ??? ? ?? ?? ???? ?? - 1? ??;???? ?? ?? 3 ??
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P261 ??·?·??·???·??·...·????? ??? ????.
P264 ?? ??? ?? ??? ????.
P264 ?? ??? ?? ??? ????.
P271 ?? ?? ??? ? ?? ???? ?????.
P280 ????/???/???/?????? ?????.
P302+P352 ??? ??? ??? ?? ????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
NFPA 704
0
2 0

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dark violet powder

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

Purification Methods

Purify 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].

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