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| CAS No.: | 1332-96-3 |
|---|---|
| Name: | FERRIC PYROPHOSPHATE |
| Molecular Structure: | |
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| Formula: | C7H10Fe2NaO13P2 |
| Molecular Weight: | 498.7721 |
| Synonyms: | Troph-iron;sodium; iron(+3) cation; 2-oxidopropane-1,2,3-tricarboxylate; phosphonomethylphosphonic acid;Iron(III) pyrophosphate, soluble;Trophite + iron;1,2,3-Propanetricarboxylic acid, 2-hydroxy-, iron(3+) sodium salt (1:1:1), mixt. with iron(3+) diphosphate;Pyrophosphoric acid, iron salt, soluble;Sodium ferricitropyrophosphate; |
| EINECS: | 233-190-0 |
| Boiling Point: | 309.6 °C at 760 mmHg |
| Flash Point: | 155.2 °C |
| Appearance: | soluble crystals |
| PSA: | 465.69000 |
| LogP: | 2.81360 |
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Specification
The Ferric pyrophosphate, soluble, with the CAS registry number 1332-96-3, has the IUPAC name of sodium; iron(3+); 2-oxidopropane-1,2,3-tricarboxylate; phosphonomethylphosphonic acid. It is a kind of salt, and the molecular formula of this chemical is C7H10Fe2NaO13P2.
The physical properties of Ferric pyrophosphate, soluble are as followings: (1)ACD/LogP: -1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.53; (4)ACD/LogD (pH 7.4): -7.46; (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: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 132.13 Å2; (13)Flash Point: 155.2 °C; (14)Enthalpy of Vaporization: 63.82 kJ/mol; (15)Boiling Point: 309.6 °C at 760 mmHg; (16)Vapour Pressure: 5.73E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Fe+3].[Fe+3].[Na+].O=P(O)(O)CP(=O)(O)O.[O-]C(=O)CC([O-])(C([O-])=O)CC([O-])=O
(2)InChI: InChI=1/C6H7O7.CH6O6P2.2Fe.Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;2-8(3,4)1-9(5,6)7;;;/h1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2,(H2,2,3,4)(H2,5,6,7);;;/q-1;;2*+3;+1/p-3
(3)InChIKey: RBQYQHNTEZSIOM-DFZHHIFOAR