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23700-19-8

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Basic Information
CAS No.: 23700-19-8
Name: 5-NITRO-1,10-PHENANTHROLINE FERROUS SULFATE
Molecular Structure:
Molecular Structure of 23700-19-8 (5-NITRO-1,10-PHENANTHROLINE FERROUS SULFATE)
Formula: C36H21FeN9O10S
Molecular Weight: 377.11
Synonyms: Ferrous, tris(5-nitro-1,10-phenanthroline)-, sulfate;Iron(2+); 5-nitro-1,10-phenanthroline; sulfate;
EINECS: 245-834-8
Boiling Point: 444 °C at 760 mmHg
Flash Point: 222.3 °C
PSA: 160.24000
LogP: 2.95470
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  • Iron(2+), tris(5-nitro-1,10-phenanthroline-κN1,κN10)-, sulfate (1:1)

  • Casno:

    23700-19-8

    Iron(2+), tris(5-nitro-1,10-phenanthroline-κN1,κN10)-, sulfate (1:1)

    Min.Order: 10 Gram

    FOB Price:  USD $ 0.0-0.0

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  • Iron(2+), tris(5-nitro-1,10-phenanthroline-κN1,κN10)-, sulfate (1:1)

  • Casno:

    23700-19-8

    Iron(2+), tris(5-nitro-1,10-phenanthroline-κN1,κN10)-, sulfate (1:1)

    Min.Order: 1 Metric Ton

    FOB Price:  USD $ 1.0-1.0

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Specification

The Iron(2+), tris(5-nitro-1,10-phenanthroline-κN1,κN10)-, sulfate (1:1), with the CAS registry number 23700-19-8, is also known as Ferrous, tris(5-nitro-1,10-phenanthroline)-, sulfate. Its EINECS number is 245-834-8. This chemical's molecular formula is C36H21FeN9O10S and molecular weight is 377.11. What's more, its systematic name is iron(2+); 5-nitro-1,10-phenanthroline; sulfate. 

Physical properties of Iron(2+), tris(5-nitro-1,10-phenanthroline-κN1,κN10)-, sulfate (1:1) are: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.56; (4)ACD/LogD (pH 7.4): 1.56; (5)ACD/BCF (pH 5.5): 8.95; (6)ACD/BCF (pH 7.4): 8.97; (7)ACD/KOC (pH 5.5): 167.08; (8)ACD/KOC (pH 7.4): 167.3; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 71.6 Å2; (13)Flash Point: 222.3 °C; (14)Enthalpy of Vaporization: 67.47 kJ/mol; (15)Boiling Point: 444 °C at 760 mmHg; (16)Vapour Pressure: 1.16E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=CC(=C3C=CC=NC3=C2N=C1)[N+](=O)[O-].C1=CC2=CC(=C3C=CC=NC3=C2N=C1)[N+](=O)[O-].C1=CC2=CC(=C3C=CC=NC3=C2N=C1)[N+](=O)[O-].[O-]S(=O)(=O)[O-].[Fe+2]
(2)InChI: InChI=1S/3C12H7N3O2.Fe.H2O4S/c3*16-15(17)10-7-8-3-1-5-13-11(8)12-9(10)4-2-6-14-12;;1-5(2,3)4/h3*1-7H;;(H2,1,2,3,4)/q;;;+2;/p-2
(3)InChIKey: BIRHYPBZQIOMFF-UHFFFAOYSA-L