Name: Pentasodium DTPA
SKU: 140-01-2

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Basic Information

Molecular Structure:
CAS No.:	140-01-2
Name:	Pentasodium DTPA
Article Data:	2

Formula:	C₁₄H₁₈N₃O₁₀Na₅
Molecular Weight:	503.26
Synonyms:	Pentasodium Pentetate;Pentasodium diethylenetriaminepentaacetate;Perma Kleer 140;Plexene D;Sodiumdiethylenetriaminepentaacetate;Syntron C;Tetralon B;Dissolvine D 40K;Dissolvine D 50;Hamp-ex 80;Pentasodium DPTA;Trilon C;Versenex 80;Chelest P;Clewat DP 80;DTPA pentasodium salt;Detarex PY;Diethylenetriaminepentaacetic acid pentasodium salt;Diethylenetriaminepentakis(acetic acid) pentasodium salt;Glycine,N,N-bis[2-[bis(carboxymethyl)amino]ethyl]-, pentasodium salt (8CI,9CI);AntiCal 8;Chel 330;
EINECS:	205-391-3
Density:	1.29
Melting Point:	-40 °C
Boiling Point:	721.1 °C at 760 mmHg
Flash Point:	389.9 °C
Solubility:	soluble in water
Appearance:	clear light yellow solution
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	39-26
PSA:	210.37000
LogP:	-9.35810

Synthetic route

<2-hydroxy-ethyl>-bis-<2--ethyl>-amine: <2-hydroxy-ethyl>-bis-<2--ethyl>-amine

: 140-01-2
diethylenetriamine-N,N,N',N",N"-pentaacetic acid pentasodium salt

Conditions

Conditions	Yield
With sodium hydroxide; water; hydrogen; cadmium(II) oxide at 230 - 240℃;

: 15827-60-8
diethylenetriamine penta(methylenephosphonic acid)

BDH: BDH

: 140-01-2
diethylenetriamine-N,N,N',N",N"-pentaacetic acid pentasodium salt

iron 5,14-dihydrodibenzo[b,i][5,9,14,18]tetraaza[14]annulene: iron 5,14-dihydrodibenzo[b,i][5,9,14,18]tetraaza[14]annulene

: 95-71-6
2-methylbenzene-1,4-diol

: 140-01-2
diethylenetriamine-N,N,N',N",N"-pentaacetic acid pentasodium salt

: 553-97-9
2-Methyl-1,4-benzoquinone

Conditions

Conditions	Yield
With sulfuric acid; dihydrogen peroxide In dichloromethane; acetic acid	10.9 g (89%)

...Expand

iron 5,14-dihydrodibenzo[b,i][5,9,14,18]tetraaza[14]annulene: iron 5,14-dihydrodibenzo[b,i][5,9,14,18]tetraaza[14]annulene

: 2416-94-6
2,3,6-trimethylphenol

: 140-01-2
diethylenetriamine-N,N,N',N",N"-pentaacetic acid pentasodium salt

: 935-92-2
2,3,5-Trimethyl-1,4-benzoquinone

Conditions

Conditions	Yield
With sulfuric acid; dihydrogen peroxide In acetic acid

...Expand

iron 5,14-dihydrodibenzo[b,i][5,9,14,18]tetraaza[14]annulene: iron 5,14-dihydrodibenzo[b,i][5,9,14,18]tetraaza[14]annulene

: 140-01-2
diethylenetriamine-N,N,N',N",N"-pentaacetic acid pentasodium salt

: 608-43-5
2,3-dimethyl-1,4-dihydroxybenzene

: 526-86-3
2,3-dimethyl-1,4-benzoquinone

Conditions

Conditions	Yield
With sulfuric acid; dihydrogen peroxide In dichloromethane; acetic acid	11.8 g (87%)

...Expand

iron 5,14-dihydrodibenzo[b,i][5,9,14,18]tetraaza[14]annulene: iron 5,14-dihydrodibenzo[b,i][5,9,14,18]tetraaza[14]annulene

: 700-13-0
Trimethylhydroquinone

: 140-01-2
diethylenetriamine-N,N,N',N",N"-pentaacetic acid pentasodium salt

: 935-92-2
2,3,5-Trimethyl-1,4-benzoquinone

Conditions

Conditions	Yield
With sulfuric acid; dihydrogen peroxide In acetic acid

...Expand

: 2240-98-4
methylenebis(acrylamide)

: 2680-03-7
N,N-Dimethylacrylamide

: 140-01-2
diethylenetriamine-N,N,N',N",N"-pentaacetic acid pentasodium salt

: 5165-97-9
sodium 2-acrylamido-2-methylpropane-1-sulfonate

inverse latex of an (AMPS Na Salt)/DMA copolymer (90/10), crosslinked with methylenebis(acrylamide): inverse latex of an (AMPS Na Salt)/DMA copolymer (90/10), crosslinked with methylenebis(acrylamide)

Conditions

Yield

Stage #1: methylenebis(acrylamide); N,N-Dimethylacrylamide; diethylenetriamine-N,N,N',N",N"-pentaacetic acid pentasodium salt; sodium 2-acrylamido-2-methylpropane-1-sulfonate With Hypermer 2296; monoisostearic acid sorbitan; sodium metabisulfite; 2,2'-azobis(isobutyronitrile); Cumene hydroperoxide In 2-methylpentadecane; water at 5 - 20℃; for 2.5h;
Stage #2: With polysorbate 60 In 2-methylpentadecane; water

...Expand

: 140-01-2
diethylenetriamine-N,N,N',N",N"-pentaacetic acid pentasodium salt

: 10025-76-0
europium(III) chloride

: 76166-31-9
Eu(diethylenetriaminepentaacetic acid) complex

Conditions

Conditions	Yield
In water-d2

: 10361-79-2
praseodymium(III) chloride

: 140-01-2
diethylenetriamine-N,N,N',N",N"-pentaacetic acid pentasodium salt

: 76147-47-2
Pr(diethylenetriaminepentaacetate)(2-)

Conditions

Conditions	Yield
In water-d2

: 140-01-2
diethylenetriamine-N,N,N',N",N"-pentaacetic acid pentasodium salt

: 10099-58-8
lanthanum(III) chloride

: 69351-98-0
La(3+)*((O2CCH2)2NCH2CH2)2NCH2CO2(5-)=La(((O2CCH2)2NCH2CH2)2NCH2CO2)(2-)

Conditions

Conditions	Yield
In water-d2

Raw Materials

15827-60-8

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Specification

The Pentasodium DTPA, with the CAS registry number 140-01-2, is also known as Diethylenetriaminepentaacetic acid pentasodium salt. It belongs to the product category of Organics. Its EINECS number is 205-391-3. This chemical's molecular formula is C₁₄H₁₈N₃O₁₀Na₅ and molecular weight is 503.26. What's more, its systematic name is pentasodium 2,2',2'',2''',2''''-(ethane-1,2-diylnitrilo)pentaacetate. It is used as a bleaching stable synergistic agent of hydrogen peroxide. It is an iron chelating agent with properties like edetic acid. It has also been used as a chelator for other metals, such as plutonium. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place.

Physical properties of Pentasodium DTPA are: (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -5.72; (4)ACD/LogD (pH 7.4): -5.95; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 13; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 196.22 Å²; (13)Flash Point: 389.9 °C; (14)Enthalpy of Vaporization: 114.7 kJ/mol; (15)Boiling Point: 721.1 °C at 760 mmHg; (16)Vapour Pressure: 9.53E-23 mmHg at 25°C.

Preparation: this chemical can be prepared by chloroactic acid and diethylenetriamine with NaOH aqueous solution as solvent.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CC([O-])=O)CCN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O
(2)Std. InChI: InChI=1S/C14H23N3O10.5Na/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;;/q;5*+1/p-5
(3)Std. InChIKey: LQPLDXQVILYOOL-UHFFFAOYSA-

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Specification