Xylenol orange

Xylenol orange

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Names
IUPAC names 3,3′-Bis[N,N-bis(carboxymethyl)aminomethyl]-o- cresolsulfonephthalein tetrasodium salt
Identifiers
CAS Number	1611-35-4 Y 3618-43-7 (tetrasodium salt)
ChemSpider	65838 Y
EC Number	216-553-8
Jmol 3D model	Interactive image
PubChem	73041
InChI InChI=1S/C31H32N2O13S/c1-17-7-21(9-19(29(17)42)11-32(13-25(34)35)14-26(36)37)31(23-5-3-4-6-24(23)47(44,45)46-31)22-8-18(2)30(43)20(10-22)12-33(15-27(38)39)16-28(40)41/h3-10,42-43H,11-16H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41) Y Key: ORZHVTYKPFFVMG-UHFFFAOYSA-N Y
SMILES O=C(O)CN(CC(=O)O)Cc1c(O)c(cc(c1)C3(OS(=O)(=O)c2ccccc23)c4cc(c(O)c(c4)CN(CC(=O)O)CC(=O)O)C)C
Properties
Chemical formula	C31H32N2O13S
Molar mass	672.66 g·mol−1
Melting point	195 °C (383 °F; 468 K)
Solubility in water	200 mg/mL
Vapor pressure	{{{value}}}
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

Xylenol orange is an organic reagent, most commonly used as a tetrasodium salt as an indicator for metal titrations. When used for metal titrations it will appear red in the titrand and yellow once it reaches its endpoint. Historically, commercial preparations of it have been notoriously impure, sometimes consisting of as little as 20% xylenol orange, and containing large amounts of semi-xylenol orange and iminodiacetic acid. Purities as high as 90% are now available.