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Pentacarboxylic acids and derivatives

Organic compounds that contain five carboxyl groups; carboxyl groups consist of a carbonyl group bonded to a hydroxy group. Includes compounds that are derived from pentacarboxylic acids.
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1

Thermo Scientific Chemicals Diethylenetriaminepentaacetic acid, pentasodium salt, tech., 40% aqueous solution

CAS: 140-01-2 | C14H18N3Na5O10 | 503.26 g/mol

Linear Formula NaOCOCH2N(CH2CH2N(CH2COONa)2)2
Molecular Weight (g/mol) 503.26
InChI Key LQPLDXQVILYOOL-UHFFFAOYSA-I
Density 1.2900g/mL
PubChem CID 8779
Name Note 40% Aqueous Solution
Percent Purity 39 to 41%
pH 11.0 to 12.0 (1% aq. soln.)
Formula Weight 503.26
Melting Point -40°C
Boiling Point 106°C
Physical Form Solution
Chemical Name or Material Diethylenetriaminepentaacetic acid, pentasodium salt
Grade Technical
SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O
CAS 7732-18-5
Health Hazard 3 GHS P Statement
Wash face,hands and any exposed skin thoroughly after handling.
Wear eye protection/face protection.
IF IN EYES: Rinse cautiously with water for several minutes.
Remove contact lenses,if present and easy to do.
Cont
MDL Number MFCD00051016
Health Hazard 2 GHS H Statement
Causes serious eye irritation.
Solubility Information Solubility in water: soluble. Other solubilities: mixible with many organic solvents
Packaging Glass bottle
Flash Point >100°C
Health Hazard 1 GHS Signal Word: Warning
Refractive Index 1.4185 to 1.4205
Synonym pentasodium dtpa,tetralon b,trilon c,versenex 80,pentasodium pentetate,hamp-ex 80,detarex py,kiresuto p,chelest p,plexene d
IUPAC Name pentasodium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
Beilstein 04, III, 1190
Molecular Formula C14H18N3Na5O10
EINECS Number 205-391-3
Specific Gravity 1.29
2

Diethylenetriaminepentaacetic Acid Calcium Trisodium Salt Hydrate 98.0+%, TCI America™

CAS: 207226-35-5 Molecular Formula: C14H20CaN3Na3O11 Molecular Weight (g/mol): 515.37 MDL Number: MFCD00150947 InChI Key: AWBWYUNJDQLQGT-UHFFFAOYSA-I Synonym: Calcium Trisodium Diethylenetriaminepentaacetate PubChem CID: 17749130 IUPAC Name: calcium trisodium 2-[bis({2-[bis(carboxylatomethyl)amino]ethyl})amino]acetate hydrate SMILES: O.[Na+].[Na+].[Na+].[Ca++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O

PubChem CID 17749130
CAS 207226-35-5
Molecular Weight (g/mol) 515.37
MDL Number MFCD00150947
SMILES O.[Na+].[Na+].[Na+].[Ca++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O
Synonym Calcium Trisodium Diethylenetriaminepentaacetate
IUPAC Name calcium trisodium 2-[bis({2-[bis(carboxylatomethyl)amino]ethyl})amino]acetate hydrate
InChI Key AWBWYUNJDQLQGT-UHFFFAOYSA-I
Molecular Formula C14H20CaN3Na3O11
3

Diethylenetriaminepentaacetic Acid, Pentasodium Salt, 41% Solution in Water, Spectrum™ Chemical

CAS: 140-01-2 Molecular Formula: C14H18N3Na5O10 Molecular Weight (g/mol): 503.26 MDL Number: MFCD00051016 InChI Key: LQPLDXQVILYOOL-UHFFFAOYSA-I IUPAC Name: pentasodium 2-[bis({2-[bis(carboxylatomethyl)amino]ethyl})amino]acetate SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O

CAS 140-01-2
Molecular Weight (g/mol) 503.26
MDL Number MFCD00051016
SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O
IUPAC Name pentasodium 2-[bis({2-[bis(carboxylatomethyl)amino]ethyl})amino]acetate
InChI Key LQPLDXQVILYOOL-UHFFFAOYSA-I
Molecular Formula C14H18N3Na5O10