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| CAS No.: | 28048-33-1 |
|---|---|
| Name: | Ferrozine disodium salt |
| Molecular Structure: | |
|
|
|
| Formula: | C20H14 N4 O6 S2 . 2 Na |
| Molecular Weight: | 514.44 |
| Synonyms: | Benzenesulfonicacid, 4,4'-[3-(2-pyridinyl)-1,2,4-triazine-5,6-diyl]bis-, disodium salt (9CI);Benzenesulfonic acid, 4,4'-[3-(2-pyridyl)-as-triazine-5,6-diyl]di-, disodiumsalt (8CI); Ferrospectral |
| EINECS: | 248-797-6 |
| Density: | g/cm3 |
| Melting Point: | >300 ºC |
| Boiling Point: | °Cat760mmHg |
| Flash Point: | °C |
| Solubility: | soluble |
| Appearance: | Yellow powder. |
| Hazard Symbols: |
|
| Risk Codes: | R36/37/38 |
| Safety: | S26;S37/39 |
| PSA: | 182.72000 |
| LogP: | 4.23740 |
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Chemistry
Molecule structure of Ferrozine disodium salt (CAS NO.28048-33-1):
IUPAC Name: Disodium4-[3-pyridin-2-yl-6-(4-sulfonatophenyl)-1,2,4-triazin-5-yl]benzenesulfonate
Molecular Weight: 514.44202 [g/mol]
Molecular Formula: C20H12N4Na2O6S2
Melting Point: 300 °C
Water Solubility: soluble
H-Bond Acceptor: 10
Rotatable Bond Count: 3
Exact Mass: 513.999365
MonoIsotopic Mass: 513.999365
Topological Polar Surface Area: 166
Heavy Atom Count: 34
Complexity: 801
Canonical SMILES: C1=CC=NC(=C1)C2=NC(=C(N=N2)C3=CC=C(C=C3)S(=O)(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-].[Na+].[Na+]
InChI: InChI=1S/C20H14N4O6S2.2Na/c25-31(26,27)15-8-4-13(5-9-15)18-19(14-6-10-16(11-7-14)32(28,29)30)23-24-20(22-18)17-3-1-2-12-21-17;;/h1-12H,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2
InChIKey: DDIHLFCSEHAOJZ-UHFFFAOYSA-L
EINECS: 248-797-6
Product Categories of Ferrozine disodium salt (CAS NO.28048-33-1): Analytical Chemistry; Bipyridyls, etc. (Chelating Reagents); Chelating Reagents
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
RTECS: DB7345000
HS Code: 29336980
Specification
Ferrozine disodium salt (CAS NO.28048-33-1) is also named as Ferrozine ; 3-(2-Pyridyl)-5,6-di(4-phenylsulfonic acid)-1,2,4-triazine, disodium salt ; 4,4'-(3-(2-Pyridinyl)-1,2,4-triazine-5,6-diyl)bis-benzenesulfonic acid, disodium salt ; 4,4'-(3-(2-Pyridinyl)-1,2,4-triazine-5,6-diyl)bis-benzenesulfonic acid,disodium salt ; 4,4'-(3-(2-Pyridyl)-triazine-5,6-diyl)dibenzenesulfonic acid disodium salt ; Ferrozin ; Benzenesulfonic acid, 4,4'-(3-(2-pyridinyl)-1,2,4-triazine-5,6-diyl)bis-, disodium salt ; Benzenesulfonic acid, 4,4'-(3-(2-pyridinyl)-1,2,4-triazine-5,6-diyl)bis-, sodium salt (1:2) ; Benzenesulfonic acid, 4,4'-(3-(2-pyridyl)-triazine-5,6-diyl)di-, disodium salt ; Disodium 4,4'-(3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl)bis(benzenesulphonate) .