CAS No.6535-47-3,Pigment Red 13 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6535-47-3
Name:	Pigment Red 13

Formula:	C₂₅H₂₀N₄O₄
Molecular Weight:	440.45
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;
EINECS:	229-441-9
Density:	1.32 g/cm³
Boiling Point:	621.6 °C at 760 mmHg
Flash Point:	329.7 °C
Hazard Symbols:	Xn,Xi
Risk Codes:	R22; R36/37/38
PSA:	119.87000
LogP:	7.33430

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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