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CAS No.: | 5504-69-8 |
---|---|
Name: | 11-methoxy-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C19H12N2O2 |
Molecular Weight: | 300.3108 |
Synonyms: | 11-Methoxy-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one; 11-Methoxy-benzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-7-one; 7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 11-methoxy- |
Density: | 1.4 g/cm3 |
Melting Point: | 192.5-193.5 °C |
Boiling Point: | 634.7 °C at 760 mmHg |
Flash Point: | 337.7 °C |
PSA: | 43.60000 |
LogP: | 3.60050 |
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The Disperse yellow 71, with CAS registry number 5504-69-8, belongs to the following product category: Dyes and Pigments. It has the systematic name of 11-methoxy-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one. This chemical is a kind of yellow powder. This chemical is used for the dyeing and printing of polyester and its blending fabric. And the chemical formula of this chemical is C19H12N2O2.
Physical properties of Disperse yellow 71: (1)ACD/LogP: 4.37; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 44.12 Å2; (7)Index of Refraction: 1.74; (8)Molar Refractivity: 86.42 cm3; (9)Molar Volume: 214.2 cm3; (10)Polarizability: 34.26×10-24cm3; (11)Surface Tension: 55.6 dyne/cm; (12)Density: 1.4 g/cm3; (13)Flash Point: 337.7 °C; (14)Enthalpy of Vaporization: 93.81 kJ/mol; (15)Boiling Point: 634.7 °C at 760 mmHg; (16)Vapour Pressure: 5.16E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1cccc5c1c(c3nc4cc(OC)ccc4n23)ccc5
(2)InChI: InChI=1/C19H12N2O2/c1-23-12-8-9-16-15(10-12)20-18-13-6-2-4-11-5-3-7-14(17(11)13)19(22)21(16)18/h2-10H,1H3
(3)InChIKey: LKXACQJIRVWIPL-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C19H12N2O2/c1-23-12-8-9-16-15(10-12)20-18-13-6-2-4-11-5-3-7-14(17(11)13)19(22)21(16)18/h2-10H,1H3
(5)Std. InChIKey: LKXACQJIRVWIPL-UHFFFAOYSA-N