Structure of o-Cresolphthalein Complexone CAS 2411-89-4

Iden­ti­fi­ca­tion

CAS Number

2411-89-4

Name

o-Cresolph­thalein Complexone

Syn­onyms

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
2-[({5-[1-(3-{[bis(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl}methyl)(carboxymethyl)amino]acetic acid
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
[MDL num­ber]
o-cresolph­thalein com­plex­one
o-Cresolphthalein-3′,3″-bis-methyleneiminodiacetic acid
o-Cresolph­thalex­on
Phthalein Com­plex­on
Phthalein pur­ple
Xylenylph­thalein-bisim­in­odi­acetic acid
Unver­i­fied
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-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-[(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-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
[({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
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)-
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 com­plex­on
o-Cresolph­thalein­­Com­­plex­one
O-Cresolph­thalex­one
o-​Cresolph­thalein Com­plex­one
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]
Xylenolphthalein-bis(iminodiacetic acid), Met­al phthaleine, Cresol phthalexone

SMILES

Cc1cc(C2(c3cc(C)c(O)c(CN(CC(=O)O)CC(=O)O)c3)OC(=O)c3ccccc32)cc(CN(CC(=O)O)CC(=O)O)c1O

Std­InChI

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)

Std­InChIKey

IYZPEGVS­BUN­MBE-UHF­F­­FAOYSA-N

Mol­e­c­u­lar Formula

C32H32N2O12

Mol­e­c­u­lar Weight

636.610

EINECS

219-318-8

MDL Number

MFCD00005911

Prop­er­ties

Appear­ance

White to light yel­low powder

Sol­u­bil­i­ty

Very sol­u­ble in ethanol, methanol, and water

Safe­ty Data

RIDADR

NONH for all modes of transport

WGK Germany

3

Spec­i­fi­ca­tions and Oth­er Infor­ma­tion of Our o-Cresolph­thalein Com­plex­one CAS 2411-89-4

Iden­ti­fi­ca­tion Methods

HNMR, HPLC

Puri­ty

98% min

Shelf Life

1 year

Stor­age

Store at 2-8℃ for a long time

Known Appli­ca­tion

o-Cresolph­thalein com­plex­ing agent is a met­al com­plex­ing indi­ca­tor and also an acid-base indi­ca­tor. It chelates with cal­ci­um and mag­ne­sium in an acidic solu­tion to form a pur­­ple-red chelate.

This prod­uct is devel­oped by our R&D com­pa­ny Wat­son Bio Ltd (https://​www​.wat​son​-bio​.com/).

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