Phthalein purple - Ph.Eur., metal indicator , CAS No.2411-89-4

CAS: 2411-89-4 Cat. No.: P432361 Summenformel: C32H32N2O12 Molekulargewicht: 636.6 Beilstein Registry Number: 381994 EG-Nummer: 219-318-8
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GRADE & PURITY Ph.Eur. ? European Pharmacopoeia grade — conforms to Ph.Eur. monographs across EU member states. Use for pharmaceutical work needing European compendial compliance. Metal indicator ? Metal indicator — dye that changes color with metal-ion concentration in complexometric titration. Use to detect endpoints in EDTA/metal titrations.
Synonyms
Diacetylmethane | o-Cresolphthalexon | DTXSID5062392 | Q907634 | FT-0634254 | 1-Butanol, 3-methyl- | Glycine,N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)- | Phthalein purple | 3,N-di(carbox
Storage
Room temperature
Shipped In
Normal
★
Size
Deutschland (EU)
USA*
Price
Qty
250mg
P432361-250mg
Auf Bestellung · 8–12 Wochen
126,60€
1g
P432361-1g
—
5 Auf Lager

387,79€

503,20€
Speichern 115,41 € (22.93%)
5g
P432361-5g
—
5 Auf Lager

580,43€

781,75€
Speichern 201,32 € (25.75%)
10g
P432361-10g
—
5 Auf Lager

891,08€

1.156,61€
Speichern 265,53 € (22.96%)
25g
P432361-25g
—
2 Auf Lager

2.007,86€

2.601,39€
Speichern 593,53 € (22.82%)
Enter a quantity for the sizes you want to add.
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Why this grade

Ph.Eur., metal indicator Metallanzeige,Ph.Eur. for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyme
Diacetylmethane | o-Cresolphthalexon | DTXSID5062392 | Q907634 | FT-0634254 | 1-Butanol, 3-methyl- | Glycine,N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)- | Phthalein purple | 3,N-di(carbox
Spezifikationen & Reinheit
Ph.Eur., metal indicator
Storage
Room temperature
Verschickt in
Normal
Note
Metallanzeige, Ph.Eur.
Namen und Kennungen
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504754948
Kanonisches Lächeln
CC1=CC(=CC(=C1O)CN(CC(=O)O)CC(=O)O)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C(=C4)C)O)CN(CC(=O)O)CC(=O)O
IUPAC Name
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
InChIKey
IYZPEGVSBUNMBE-UHFFFAOYSA-N
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)
Isomere SMILES
CC1=CC(=CC(=C1O)CN(CC(=O)O)CC(=O)O)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C(=C4)C)O)CN(CC(=O)O)CC(=O)O
WGK Deutschland
3
Molekulargewicht
636.6
Beilstein
381994
Reaxy-Rn
381994
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=381994&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
KlasseCarboxylic acids and derivatives
SubclassPentacarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentPentacarboxylic acids and derivatives
Alternative Parents Alpha amino acids  Phthalides  Benzofuranones  Phenylmethylamines  Ortho cresols  Benzylamines  Toluenes  Aralkylamines  Trialkylamines  Amino acids  Carboxylic acid esters  Lactones  Oxacyclic compounds  Carboxylic acids  Carbonyl compounds  Organic oxides  Hydrocarbon derivatives  Organopnictogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Pentacarboxylic acid or derivatives - Alpha-amino acid - Phthalide - Benzofuranone - Isobenzofuranone - Alpha-amino acid or derivatives - Isocoumaran - Benzylamine - O-cresol - Phenylmethylamine - Aralkylamine - Toluene - Phenol - Benzenoid - Monocyclic benzene moiety - Amino acid - Lactone - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot NumberCertificate TypeDatumArtikel
E2317690Certificate of AnalysisApr 24, 2023 P432361
E2317849Certificate of AnalysisApr 24, 2023 P432361
E2317853Certificate of AnalysisApr 24, 2023 P432361
E2317877Certificate of AnalysisApr 24, 2023 P432361
E2317881Certificate of AnalysisApr 24, 2023 P432361
E2317918Certificate of AnalysisApr 24, 2023 P432361
E2317922Certificate of AnalysisApr 24, 2023 P432361
E2317929Certificate of AnalysisApr 24, 2023 P432361
Chemische und physikalische Eigenschaften
Schmelzpunkt (°C)181°C
Molekulargewicht636.600 g/mol
XLogP3-2.000
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count14
Exact Mass636.196 Da
Monoisotopic Mass636.196 Da
Topological Polar Surface Area222.000 Ų
Heavy Atom Count46
Formal Charge0
Complexity1050.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
FAQs und Artikel
Citations of This Product
Lösungsrechner
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