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MFCD00005911

Molecular FormulaC₃₂H₃₂N₂O₁₂
Average mass636.603 Da
Monoisotopic mass636.195496 Da
ChemSpider ID68014

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Featured data source

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2,2',2'',2'''-{(3-Oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis[(6-hydroxy-5-methyl-3,1-phenylen)methylennitrilo]}tetraessigsäure [German] [ACD/IUPAC Name]

2,2',2'',2'''-{(3-Oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylenenitrilo]}tetraacetic acid [ACD/IUPAC Name]

2,2'-[(3-Oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis{(6-hydroxy-5-methyl-3,1-phenylene)methylene[(carboxymethyl)ammonio]}]diacetate

219-318-8 [EINECS]

2411-89-4 [RN]

Acide 2,2',2'',2'''-{(3-oxo-1,3-dihydro-2-benzofurane-1,1-diyl)bis[(6-hydroxy-5-méthyl-3,1-phénylène)méthylènenitrilo]}tetraacétique [French] [ACD/IUPAC Name]

Metal phthalein

MFCD00005911

o-cresolphthalein complexone

o-Cresolphthalein-3',3''-bis-methyleneiminodiacetic acid

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o-Cresolphthalexon

Phthalein Complexon

Phthalein purple

Xylenylphthalein-bisiminodiacetic acid

[({5-[1-(3-{[BIS(CARBOXYMETHYL)AMINO]METHYL}-4-HYDROXY-5-METHYLPHENYL)-3-OXO-2-BENZOFURAN-1-YL]-2-HYDROXY-3-METHYLPHENYL}METHYL)(CARBOXYMETHYL)AMINO]ACETIC ACID

[2411-89-4] [RN]

1,3-dihydro-3-oxoisobenzofuran-1-ylidenebis(6-hydroxy-5-methyl-m-phenylenemethylenenitrilo)tetra-acetic acid

2,2',2'',2'''-((((3-Oxo-1,3-dihydroisobenzofuran-1,1-diyl)bis(2-hydroxy-3-methyl-5,1-phenylene))bis(methylene))bis(azanetriyl))tetraacetic acid

2-[({5-[1-(3-{[(CARBOXYLATOMETHYL)(CARBOXYMETHYL)AMMONIO]METHYL}-4-HYDROXY-5-METHYLPHENYL)-3-OXO-2-BENZOFURAN-1-YL]-2-HYDROXY-3-METHYLPHENYL}METHYL)(CARBOXYMETHYL)AMMONIO]ACETATE

2-[({5-[1-(3-{[bis(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-3-oxo hydroisobenzofuranyl]-2-hydroxy-3-methylphenyl}methyl)(carboxymethyl)amino]ace tic acid

2-[({5-[1-(3-{[bis(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-3-oxohydroisobenzofuranyl]-2-hydroxy-3-methylphenyl}methyl)(carboxymethyl)amino]acetic acid

2-[[5-[1-[3-[(bis(carboxymethyl)amino)methyl]-4-hydroxy-5-methyl-phenyl]-3-keto-isobenzofuran-1-yl]-2-hydroxy-3-methyl-benzyl]-(carboxymethyl)amino]acetic acid

2-[[5-[1-[3-[(bis(carboxymethyl)amino)methyl]-4-hydroxy-5-methylphenyl]-3-oxo-1-isobenzofuranyl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid

2-[[5-[1-[3-[(bis(carboxymethyl)amino)methyl]-4-hydroxy-5-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid

2-[[5-[1-[3-[(bis(carboxymethyl)amino)methyl]-4-hydroxy-5-methyl-phenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methyl-phenyl]methyl-(carboxymethyl)amino]ethanoic acid

2-[[5-[1-[3-[(bis(carboxymethyl)amino)methyl]-4-hydroxy-5-methyl-phenyl]-3-oxo-isobenzofuran-1-yl]-2-hydroxy-3-methyl-phenyl]methyl-(carboxymethyl)amino]acetic acid

2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-1-isobenzofuranyl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid

2-[[5-[1-[3-[[carboxylatomethyl(carboxymethyl)azaniumyl]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)azaniumyl]acetate

2-Cresolphthalexon

3,3'-Bis(N,N-di(carboxymethyl)aminomethyl)-o-cresolphthalein

3,3'-Bis[N, N-di(carboxymethyl)aminomethyl]-o-cresolphthalein

3,3'-Bis[N,N-bis(carboxymethyl)aminomethyl]-o-cresolphthalein

3,3'-Bis[N,N-di(carboxymethyl)aminomethyl]-o-cresolphthalein

4-Iodo-3-nitro-benzamide;BSI-201

Cresolphthalein complexon

Cresolphthalein complexone

Cresolphthalexon

EINECS 219-318-8

Glycine, N, N'-[ (3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3, 1-phenylene)methylene]]bis[N-(carboxymethyl)-

Glycine, N,N'-((3-oxo-1(3H)-isobenzofuranylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-

Glycine, N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-

Metalphthalein

metalphthalein, reagent (acs)

metalphthalein, reagent, acs

N,N'-((3-Oxo-1(3H)-isobenzofuranylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)glycine

o-Cresolphthalein Complexone

o-Cresolphthalein complexon

o-cresolphthalein complexone, pure

o-Cresolphthalein-3?,3??-bis-methyleneiminodiacetic acid

o-CresolphthaleinComplexone

O-Cresolphthalexone

Phenolphthalein, 3',3''-bis[[bis(carboxymethyl)amino]methyl]-5', 5''-dimethyl-

Phenolphthalein, 3',3''-bis[[bis(carboxymethyl)amino]methyl]-5',5''-dimethyl-

Phthalein Complexon [Chelating Indicator]

Phthalein purple|o-Cresolphthalein complexone|Metalphthalein

SBB008849

Xylenolphthalein-bis(iminodiacetic acid), Metal phthaleine, Cresol phthalexone

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

381994 [DBID]

A4P6737I7F [DBID]

BSI-201 [DBID]

e2 [DBID]

NSC 298195 [DBID]

NSC298195 [DBID]

UNII:A4P6737I7F [DBID]

UNII-A4P6737I7F [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Experimental Physico-chemical Properties
- Experimental Melting Point:
  
  181-185 °C (Decomposes) Sigma-Aldrich ALDRICH-188190
Miscellaneous
- Appearance:
  
  off-white powder OU Chemical Safety Data (No longer updated) More details
- Stability:
  
  Stable. Incompatible with strong oxidizing agents. OU Chemical Safety Data (No longer updated) More details
- Safety:
  
  Safety glasses. OU Chemical Safety Data (No longer updated) More details

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.5±0.1 g/cm³
Boiling Point:	892.1±65.0 °C at 760 mmHg
Vapour Pressure:	0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization:	135.9±3.0 kJ/mol
Flash Point:	493.4±34.3 °C
Index of Refraction:	1.678
Molar Refractivity:	158.4±0.3 cm³
#H bond acceptors:	14
#H bond donors:	6
#Freely Rotating Bonds:	14
#Rule of 5 Violations:	3

ACD/LogP:	2.13
ACD/LogD (pH 5.5):	-3.11
ACD/BCF (pH 5.5):	1.00
ACD/KOC (pH 5.5):	1.00
ACD/LogD (pH 7.4):	-3.77
ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 7.4):	1.00
Polar Surface Area:	222 Å²
Polarizability:	62.8±0.5 10^-24cm³
Surface Tension:	83.0±3.0 dyne/cm
Molar Volume:	420.0±3.0 cm³

Click to predict properties on the Chemicalize site

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MFCD00005911

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Experimental Melting Point:

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