EDTA ferric sodium salt

Iupac Name：sodium;
2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]
acetate; iron(3+)

Molecular Weight：367.04565

Modify Date.: 2022-11-25 02:17

Introduction: EDTA ferric sodium salt is the ferric sodium salt of EDTA (Ethylene Diamine Tetraacetic Acid). It is a broad-spectrum molluscicide that is capable of killing snails and slugs and protecting agricultural crops and garden plants. In particular, it can eliminate infestations of Cornu aspersum, the common garden snail. It takes effect through interacting with and destroying hemocyanin, a copper based compound existing in the blood of molluscs and anthropods that is engaged in carrying oxygen (play a similar role with hemoglobin invertebrates). It is capable of killing snails and slugs in a few days. It can also be used as a food fortifier and a source of iron to be supplemented to the foods for nutrition purposes. View more+

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1. Names and Identifiers

1.1 Name: EDTA ferric sodium salt
1.2 Synonyms: ((ethylenedinitrilo)tetraacetato)-ferrate(1-sodium [[N,N'-Ethanediylbis[N-(carboxymethyl)glycinato]](4-)]-N,N',O,O',ON,ON'-ferrate(1-) Sodium EDTA Iron(III) sodium salt EDTA iron(III) sodium salt,Edathamil,Ethylenediaminetetraacetic acid iron(III) sodium salt EDTA-FeNa.3H2O EINECS 239-802-2 Ethlenediaminetetraaceticacidferricsodiumsalt Ethylenediaminetetraacetic acid fe Ethylenediaminetetraacetic Acid Ferric Sodium Salt Ethylenediaminetetraacetic Acid Ferric Sodium Salt Hydrate Ethylenediaminetetraacetic Acid Iron(III) Sodium Salt Hydrate Ethylenediaminetetraacetic acid monosodium ferric salt Ethylenediaminetetraacetic Acid Monosodium Ferric Salt Hydrate Ethylenediaminetetraacetic acid,ferric sodium salt trihydrate ferisan Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, sodium, (OC-6-21)- ferrate(1-),[[n,n’-1,2-ethanediylbis[n-(carboxymethyl)glycinato]](4-)-n,n’,o,o Ferric sodium edetate Ferric sodium EDTA Ferric Sodium Ethylenediaminetetraacetate Hydrate ferricsodiumedetate Ferrostrane Ferrostrene Iron(3+) sodium 2,2',2'',2'''-(1,2-ethanediyldinitrilo)tetraacetate Iron(3+) sodium 2,2',2'',2'''-(1,2-ethanediyldinitrilo)tetraacetate (1:1:1) iron(3+) sodium 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate Iron(3+) sodium 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate (1:1:1) Iron(III) Sodium Ethylenediaminetetraacetate Hydrate MFCD00798117 monosodiumferricedta on’]-,sodium,(oc-6-21)-on sequestrenenafe Sodium [(Ethylenedinitrilo)tetraacetato]ferrate(1-) sodium feredetate Sodium ferric ethylenediaminetetraacetate Sodium Iron Edetate Sodium iron(III) ethylenediaminetetraacetate sodium,2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate,iron(3+)

1.3 CAS No.: 15708-41-5

1.4 CID: 27461

1.5 EINECS(EC#): 239-802-2

1.6 Molecular Formula: C10H12FeN2NaO8 (isomer)

1.7 Inchi: InChI=1S/C10H16N2O8.Fe.Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;+3;+1/p-4

1.8 InChkey: MKWYFZFMAMBPQK-UHFFFAOYSA-J

1.9 Canonical Smiles: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Fe+3]

1.10 Isomers Smiles: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Fe+3]

2. Properties

2.1 Melting point: 350-360°C

2.1 Boiling point: 614.2°Cat760mmHg

2.1 Flash Point: 325.2°C

2.1 Precise Quality: 366.98400

2.1 PSA: 167.00000

2.1 logP: -7.41250

2.1 Appearance: yellow to brown crystalline powder

2.2 Storage: Ambient temperatures.

2.3 Chemical Properties: yellow-brown powder

2.4 Color/Form: Yellow-brown

2.5 Water Solubility: H2O: soluble

2.6 Stability: Stable at room temperature in closed containers under normal storage and handling conditions.

2.7 StorageTemp: room temp

3. Use and Manufacturing

3.1 Definition: ChEBI: An iron chelate resulting from the deprotonation of all four carboxy groups of ethylenediaminetetraacetic acid and the addition of an iron(3+) and a sodium ion. It is used for the treatment of iron deficiency anaemia. EDTA ferric sodium salt Preparation Products And Raw materials Raw materials

3.2 Usage: Used as a micronutrient fertilizer, an additive in the food industry, a catalyst in the chemical industry and bleaching agent in the photographic industry.

4. Safety and Handling

4.1 Hazard Codes: Xi

4.1 Risk Statements: R36/37/38

4.1 Safety Statements: S26;S37/39

4.1 Hazard Declaration: H315

4.1 RIDADR: 25kgs

4.1 Caution Statement: P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

4.1 WGK Germany: 2

4.1 RTECS: AH4900000

4.1 Toxicity

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AH4900000

CHEMICAL NAME :: Acetic acid, (ethylenedinitrilo)tetra-, sodium salt, iron complex

CAS REGISTRY NUMBER :: 15708-41-5

LAST UPDATED :: 199701

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C10-H12-Fe-N2-O8.Na

MOLECULAR WEIGHT :: 367.08

WISWESSER LINE NOTATION :: QV1N1VQ2N1VQ1VQ &-FE- &-NA-

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CIGET* Ciba-Geigy Toxicology Data/Indexes. (Ciba-Geigy Corp., 556 Morris Ave., Summit, NJ 07901) Volume(issue)/page/year: -,-,1977

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CIGET* Ciba-Geigy Toxicology Data/Indexes. (Ciba-Geigy Corp., 556 Morris Ave., Summit, NJ 07901) Volume(issue)/page/year: -,-,1977 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - T0626 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 115 (estimated) No. of Female Employees: 22 (estimated)

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)	No symbol.
Signal word	No signal word.
Hazard statement(s)	none
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

7. Other Information

7.0 Production: 1,000,000 - 10,000,000 lb

7.1 Manufacturing Info: Agriculture, forestry, fishing and hunting|Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-.kappa.O)methyl]glycinato-.kappa.N,.kappa.O]](4-)]-, sodium (1:1), (OC-6-21)-: ACTIVE

7.2 References: Haldane, S. L, and R. M. Davis. "Acute toxicity in five dogs after ingestion of a commercial snail and slug bait containing iron EDTA. " Australian Veterinary Journal 87.7(2009):284-286.
Yang, Jin Sun, X. N. Tang, and S. L. Zhou. "Effects of EDTA and some metallic ions on the activity of phenoloxidase from Oncomelania snail." Journal of Pathogen Biology (2007).
Tao, A. N., X. J. Yan, and L. I. Guo-Ting. "Research on the New Preparation Process of Food Fortifier EDTA Ferric Sodium." China Condiment (2013).

7.3 Uses: Sodium Iron EDTA is often used in children nutrition as a source of iron.

7.4 Biochem/physiol Actions: Chelates divalent cations.

7.5 Usage: Ethylenediaminetetraacetic acid, iron(III) monosodium salt is used to eliminate enzyme inhibition by traces of heavy metals and to inhibit enzymes that require divalent cations as cofactors.

7.6 Merck: 14,4031

7.7 Description: EDTA ferric sodium salt is the ferric sodium salt of EDTA (Ethylene Diamine Tetraacetic Acid). It is a broad-spectrum molluscicide that is capable of killing snails and slugs and protecting agricultural crops and garden plants. In particular, it can eliminate infestations of Cornu aspersum, the common garden snail. It takes effect through interacting with and destroying hemocyanin, a copper based compound existing in the blood of molluscs and anthropods that is engaged in carrying oxygen (play a similar role with hemoglobin invertebrates). It is capable of killing snails and slugs in a few days. It can also be used as a food fortifier and a source of iron to be supplemented to the foods for nutrition purposes.

7.8 References: Haldane, S. L, and R. M. Davis. "Acute toxicity in five dogs after ingestion of a commercial snail and slug bait containing iron EDTA. " Australian Veterinary Journal 87.7(2009):284-286.
Yang, Jin Sun, X. N. Tang, and S. L. Zhou. "Effects of EDTA and some metallic ions on the activity of phenoloxidase from Oncomelania snail." Journal of Pathogen Biology (2007).
Tao, A. N., X. J. Yan, and L. I. Guo-Ting. "Research on the New Preparation Process of Food Fortifier EDTA Ferric Sodium." China Condiment (2013).

7.9 Chemical Properties: yellow-brown powder

7.10 Uses: Used as a micronutrient fertilizer, an additive in the food industry, a catalyst in the chemical industry and bleaching agent in the photographic industry.

7.11 Definition: ChEBI: An iron chelate resulting from the deprotonation of all four carboxy groups of ethylenediaminetetraacetic acid and the addition of an iron(3+) and a sodium ion. It is used for the treatment of iron deficiency anaemia.

8. Computational chemical data

Molecular Weight: 367.04565g/mol
Molecular Formula: C₁₀H₁₂FeN₂NaO₈
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 366.984070
Monoisotopic Mass: 366.984070
Complexity: 293
Rotatable Bond Count: 7
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 10
Topological Polar Surface Area: 167
Heavy Atom Count: 22
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 3
CACTVS Substructure Key Fingerprint: AAADccBzPCAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAAAAAAAADBgAQACAMAAAAIAACQCAAAAAAAAAAAAACIAAACQAAAACAQAAAAAACQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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