CAS No.61847-48-1,Pigment Red 188 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	61847-48-1
Name:	Pigment Red 188

Formula:	C₃₃H₂₄Cl₂N₄O₆
Molecular Weight:	643.47
Synonyms:	Benzoic acid,4-[[(2,5-dichlorophenyl)amino]carbonyl]-2-[[2-hydroxy-3-[[(2-methoxyphenyl)amino]carbonyl]-1-naphthalenyl]azo]-,methyl ester (9CI);C.I. 12467;C.I. Pigment Red 188;Novoperm Red HF 3S;Novoperm Red HF 3S70;Permanent Red HF 3S;Pigment Red 188;
EINECS:	263-272-1
Density:	1.4 g/cm³
Melting Point:	320ºC
Boiling Point:	734.8 °C at 760 mmHg
Flash Point:	398.2 °C
PSA:	138.68000
LogP:	8.71340

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Specification

The CAS register number of Pigment Red 188 is 61847-48-1. It also can be called as Methyl 4-[[(2,5-dichlorophenyl)amino]carbonyl]-2-[[2-hydroxy-3-[[(2-methoxyphenyl)amino]carbonyl]-1-naphthyl]azo]benzoate and the IUPAC name about this chemical is methyl 4-[(2,5-dichlorophenyl)carbamoyl]-2-[(2Z)-2-[3-[(2-methoxyphenyl)carbamoyl]-2-oxonaphthalen-1-ylidene]hydrazinyl]benzoate. The molecular formula about this chemical is C₃₃H₂₄Cl₂N₄O₆ and the molecular weight is 643.47. It belongs to the Organics.

Physical properties about Pigment Red 188 are: (1)ACD/LogP: 9.23; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 9.23; (4)ACD/LogD (pH 7.4): 9.23; (5)#H bond acceptors: 10; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 10; (8)Polar Surface Area: 138.68Å²; (9)Index of Refraction: 1.66; (10)Molar Refractivity: 169.12 cm³; (11)Molar Volume: 457.9 cm³; (12)Polarizability: 67.04x10^-24cm³; (13)Surface Tension: 53.2 dyne/cm; (14)Flash Point: 398.2 °C; (15)Enthalpy of Vaporization: 111.02 kJ/mol; (16)Boiling Point: 734.8 °C at 760 mmHg; (17)Vapour Pressure: 2.53E-22 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc5ccc(Cl)cc5NC(=O)c4ccc(C(=O)OC)c(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1OC)c2O)c4
(2)InChI: InChI=1/C33H24Cl2N4O6/c1-44-28-10-6-5-9-25(28)36-32(42)23-15-18-7-3-4-8-21(18)29(30(23)40)39-38-26-16-19(11-13-22(26)33(43)45-2)31(41)37-27-17-20(34)12-14-24(27)35/h3-17,40H,1-2H3,(H,36,42)(H,37,41)
(3)InChIKey: MERWBGHMSXDWBM-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C33H24Cl2N4O6/c1-44-28-10-6-5-9-25(28)36-32(42)23-15-18-7-3-4-8-21(18)29(30(23)40)39-38-26-16-19(11-13-22(26)33(43)45-2)31(41)37-27-17-20(34)12-14-24(27)35/h3-17,40H,1-2H3,(H,36,42)(H,37,41)
(5)Std. InChIKey: MERWBGHMSXDWBM-UHFFFAOYSA-N