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568-93-4

Basic Information
CAS No.: 568-93-4
Name: Acid Mordant Orange 14
Article Data: 18
Molecular Structure:
Molecular Structure of 568-93-4 (Acid Mordant Orange 14)
Formula: C14H7NO6
Molecular Weight: 285.213
Synonyms: Anthraquinone,1,2-dihydroxy-3-nitro- (6CI,7CI,8CI);1,2-Dihydroxy-3-nitro-9,10-anthraquinone;1,2-Dihydroxy-3-nitroanthraquinone;3-Nitroalizarin;3-Nitroalizarine;Alizarinorange;Alizarine Orange;Alizarine Orange A;C.I. 58015;C.I. Mordant Orange14;NSC 37586;b-Nitroalizarin;
EINECS: 209-310-2
Density: 1.7g/cm3
Melting Point: 244°C (rough estimate)
Boiling Point: 473.1 °C at 760 mmHg
Flash Point: 202.2 °C
PSA: 120.42000
LogP: 2.30460
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    e Acid Mordant Orange 14 is an organic compound with the formula C14H7NO6. The IUPAC name of this chemical is 1,2-dihydroxy-3-nitroanthracene-9,10-dione. With the CAS registry number 568-93-4, it is also named as 9,10-anthracenedione, 1,2-dihydroxy

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Specification

The Acid Mordant Orange 14 is an organic compound with the formula C14H7NO6. The IUPAC name of this chemical is 1,2-dihydroxy-3-nitroanthracene-9,10-dione. With the CAS registry number 568-93-4, it is also named as 9,10-anthracenedione, 1,2-dihydroxy-3-nitro-.

Physical properties about Acid Mordant Orange 14 are: (1)ACD/LogP: 5.28; (2)# of Rule of 5 Violations: 1 ; (3)#H bond acceptors: 7; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 98.42 Å2; (7)Index of Refraction: 1.759; (8)Molar Refractivity: 68.97 cm3; (9)Molar Volume: 167.7 cm3; (10)Polarizability: 27.34×10-24cm3; (11)Surface Tension: 93.9 dyne/cm; (12)Density: 1.7 g/cm3; (13)Flash Point: 202.2 °C; (14)Enthalpy of Vaporization: 76.43 kJ/mol; (15)Boiling Point: 473.1 °C at 760 mmHg; (16)Vapour Pressure: 1.42E-09 mmHg at 25°C.

Uses of Acid Mordant Orange 14: it can be used to produce C36H35NO8. It will need reagent pyridine. The yield is about 38%.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c3cc2C(=O)c1ccccc1C(=O)c2c(O)c3O
(2)InChI: InChI=1/C14H7NO6/c16-11-6-3-1-2-4-7(6)12(17)10-8(11)5-9(15(20)21)13(18)14(10)19/h1-5,18-19H
(3)InChIKey: XZSUEVFAMOKROK-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C14H7NO6/c16-11-6-3-1-2-4-7(6)12(17)10-8(11)5-9(15(20)21)13(18)14(10)19/h1-5,18-19H
(5)Std. InChIKey: XZSUEVFAMOKROK-UHFFFAOYSA-N