-
Name
11-methoxy-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one
- EINECS
- CAS No. 5504-69-8
- Article Data5
- CAS DataBase
- Density 1.4 g/cm3
- Solubility
- Melting Point 192.5-193.5 °C
- Formula C19H12N2O2
- Boiling Point 634.7 °C at 760 mmHg
- Molecular Weight 300.3108
- Flash Point 337.7 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- 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-
- PSA 43.60000
- LogP 3.60050
Disperse yellow 71 Specification
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
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