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V001056

o-Cresolphthalein Complexone

Synonym(s):

o-Cresolphthalein-3′,3′′-bis-methyleneiminodiacetic acid, o-Cresolphthalexon, Metal phthalein, Phthalein purple, Xylenylphthalein-bisiminodiacetic acid

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About This Item

Empirical Formula (Hill Notation):
C32H32N2O12
CAS Number:
2411-89-4
Molecular Weight:
636.60
EC Number:
219-318-8
PubChem Substance ID:
329828438
MDL number:
MFCD00005911
Beilstein/REAXYS Number:
381994
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mp

181-185 °C (dec.) (lit.)

SMILES string

Cc1cc(cc(CN(CC(O)=O)CC(O)=O)c1O)C2(OC(=O)c3ccccc23)c4cc(C)c(O)c(CN(CC(O)=O)CC(O)=O)c4

InChI

1S/C32H32N2O12/c1-17-7-21(9-19(29(17)43)11-33(13-25(35)36)14-26(37)38)32(24-6-4-3-5-23(24)31(45)46-32)22-8-18(2)30(44)20(10-22)12-34(15-27(39)40)16-28(41)42/h3-10,43-44H,11-16H2,1-2H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42)

InChI key

IYZPEGVSBUNMBE-UHFFFAOYSA-N

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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