CAS No.1332-96-3,FERRIC PYROPHOSPHATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1332-96-3
Name:	FERRIC PYROPHOSPHATE

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