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16143-80-9

Basic Information
CAS No.: 16143-80-9
Name: Pigment Green 8
Molecular Structure:
Molecular Structure of 16143-80-9 (Pigment Green 8)
Formula: C30H18FeN3NaO6
Molecular Weight: 595.326
Synonyms: Paliotol Green D 9780;Paliotol Green K 9781;Pigment Green;Ferrate(1-),tris(1,2-naphthalenedione 1-oximato-O,O')-, sodium;Ferrate(1-),tris(1,2-naphthoquinone 1-oximato)-, sodium (8CI);Ferrate(1-),tris[(1,2-naphthalenedione-kO2) 1-(oximato-kO)]-, sodium (9CI);1,2-Naphthalenedione, 1-oxime,iron complex;
EINECS: 240-299-7
Density: 1.27[at 20℃]
Boiling Point: 357.6 °C at 760 mmHg
Flash Point: 170.1 °C
Solubility: 2.97g/L at 25℃
PSA: 129.81000
LogP: 4.50190
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Specification

The Pigment Green 8, with the CAS registry number 16143-80-9, is also known as Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-). It belongs to the product category of Organometallics. Its EINECS registry number is 240-299-7. This chemical's molecular formula is C30H18FeN3NaO6 and molecular weight is 595.32. What's more, its systematic name is called Iron(2+) sodium 1-nitroso-2-naphthalenolate (1:1:3). First prepare the nitroso derivatives of β-naphthol, then reacts with FeSO4 via complexation reaction get this chemical. It is used in coloring for artificial marble, ceramic tile, rubber groceries, plastic window screening, plastic products, ink and paint.

Physical properties about Pigment Green 8 are: (1)ACD/LogP: 2.425; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.42; (4)ACD/LogD (pH 7.4): 2.30; (5)ACD/BCF (pH 5.5): 40.85; (6)ACD/BCF (pH 7.4): 30.65; (7)ACD/KOC (pH 5.5): 494.71; (8)ACD/KOC (pH 7.4): 371.17; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12) Polar Surface Area: 49.66 Å2; (13)Flash Point: 170.1 °C; (14)Enthalpy of Vaporization: 62.68 kJ/mol; (15)Boiling Point: 357.6 °C at 760 mmHg; (16)Vapour Pressure: 1.31E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [Fe+2].[Na+].O=Nc1c2c(ccc1[O-])cccc2.O=Nc1c2c(ccc1[O-])cccc2.O=Nc1c2c(ccc1[O-])cccc2
(2) InChI: InChI=1S/3C10H7NO2.Fe.Na/c3*12-9-6-5-7-3-1-2-4-8(7)10(9)11-13;;/h3*1-6,12H;;/q;;;+2;+1/p-3
(3) InChIKey: QMMUOIQIZHVDOA-UHFFFAOYSA-K