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Pigment Red 13

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Name

Pigment Red 13

EINECS 229-441-9
CAS No. 6535-47-3 Density 1.32 g/cm3
PSA 119.87000 LogP 7.33430
Solubility N/A Melting Point N/A
Formula C25H20N4O4 Boiling Point 621.6 °C at 760 mmHg
Molecular Weight 440.45 Flash Point 329.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes R22; R36/37/38
Molecular Structure Molecular Structure of 6535-47-3 (Pigment Red 13) Hazard Symbols Xn,Xi
Synonyms

2-Naphthalenecarboxamide,3-hydroxy-4-[(4-methyl-2-nitrophenyl)azo]-N-(2-methylphenyl)- (9CI);2-Naphtho-o-toluidide, 3-hydroxy-4-(2-nitro-p-tolylazo)- (6CI);C.I. 12395;C.I. Pigment Red 13;C.P. Toluidine Maroon MT-2;Tioga MaroonX-1997;Toluidine Maroon Light;

 

Pigment Red 13 Specification

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

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