CAS No.79551-14-7,Ferene disodium salt Suppliers

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Basic Information

Molecular Structure:
CAS No.:	79551-14-7
Name:	Ferene disodium salt

Formula:	C₁₆H₁₀N₄O₈S₂.2Na
Molecular Weight:	496.37
Synonyms:	2-Furansulfonicacid, 5,5'-[3-(2-pyridinyl)-1,2,4-triazine-5,6-diyl]bis-, disodium salt (9CI);Ferene;Ferene S;NSC 601364;
EINECS:	629-460-6
Density:	1.188?g/mL?at 25?°C(lit.)
Melting Point:	46-49?°C(lit.)
Boiling Point:	160-162?°C(lit.)
Flash Point:	>230?°F
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	209.00000
LogP:	3.42340

Synthetic route

: 7439-89-6
iron(II)

: 79551-14-7
3-(2-pyridyl)-5,6-bis(2-(5-furyl sulfonic acid)-1,2,4-triazine), disodium salt

: Fe(C5H4NC3N3(C4H2OSO3)2)3(4-)*6Na(1+)=Fe(C5H4NC3N3(C4H2OSO3Na)2)3(2+)

Conditions

Conditions	Yield
With hydroxylamine hydrochloride In further solvent(s) Kinetics; iron, complexone and hydroxylamine as reducing agent mixed with acetatebuffer, 1 M HCl or 1 M NaOH added to adjust required pH in a range 1-10; detected by UV spectroscopy;

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Specification

This chemical is called Ferene-S, and its systematic name is 2-Furansulfonic acid, 5,5'-(3-(2-pyridinyl)-1,2,4-triazine-
5,6-diyl)bis-, disodium salt. With the molecular formula of C₁₆H₁₀N₄O₈S₂.2Na, its molecular weight is 496.37. The CAS registry number of this chemical is 79551-14-7.

Other characteristics of the Ferene-S can be summarised as followings: (1)ACD/LogP: -1.04; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 12; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 203.34 Å².

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: [Na+].[Na+].O=S([O-])(=O)c4oc(c1nnc(nc1c2oc(cc2)S([O-])(=O)=O)c3ncccc3)cc4
2.InChI: InChI=1/C16H10N4O8S2.2Na/c21-29(22,23)12-6-4-10(27-12)14-15(11-5-7-13(28-11)30(24,25)26)19-20-16(18-14)9-3-1-2-8-17-9;;/h1-8H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2
3.InChIKey: IVLSEFOVPQFJBB-NUQVWONBAC