The Pigment Red 13, with the CAS registry number 6535-47-3 and EINECS registry number 229-441-9, has the systematic name of 3-hydroxy-4-(4-methyl-2-nitro-phenyl)azo-N-(o-tolyl)naphthalene-2-carboxamide. It is a kind of mauve powder, and usually used for the pigmentation of paint, rubber, leather and paint paste. And the molecular formula of the chemical is C25H20N4O4.
The physical properties of Pigment Red 13 are as followings: (1)ACD/LogP: 7.55; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.54; (4)ACD/LogD (pH 7.4): 7.54; (5)#H bond acceptors: 8; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 119.87 Å2; (9)Index of Refraction: 1.665; (10)Molar Refractivity: 123.72 cm3; (11)Molar Volume: 332.9 cm3; (12)Polarizability: 49.04×10-24cm3; (13)Surface Tension: 53.7 dyne/cm; (14)Density: 1.32 g/cm3; (15)Flash Point: 329.7 °C; (16)Enthalpy of Vaporization: 95.47 kJ/mol; (17)Boiling Point: 621.6 °C at 760 mmHg; (18)Vapour Pressure: 4.81E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(C)cc2[N+]([O-])=O)c3O
(2)InChI: InChI=1/C25H20N4O4/c1-15-11-12-21(22(13-15)29(32)33)27-28-23-18-9-5-4-8-17(18)14-19(24(23)30)25(31)26-20-10-6-3-7-16(20)2/h3-14,30H,1-2H3,(H,26,31)
(3)InChIKey: ZULWYEUQOYBFOW-UHFFFAOYAH
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View