CAS No.15793-73-4,Pigment Orange 34 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	15793-73-4
Name:	Pigment Orange 34

Formula:	C₃₄H₂₈Cl₂N₈O₂
Molecular Weight:	651.55
Synonyms:	3H-Pyrazol-3-one,4,4'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[2,4-dihydro-5-methyl-2-(4-methylphenyl)-(9CI);C.I. 21115;C.I. Pigment Orange 37;Irgalite Orange F 2G;PV-Orange RL;Permanent Orange RL;PermanentOrange RL 70;Roma Orange B 112700;
EINECS:	239-898-6
Density:	1.39 g/cm³
Boiling Point:	850.4 °C at 760 mmHg
Flash Point:	468.1 °C
PSA:	125.54000
LogP:	9.89060

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Specification

The Pigment Orange 34, with the CAS registry number 15793-73-4, is also known as 4,4'-(3,3'-Dichloro-4,4'-biphenylene)bis(azo))bis(1-(4-methylphenyl)-3-methyl-5-pyrazolone). It belongs to the product category of Organics. Its EINECS number is 239-898-6. This chemical's molecular formula is C₃₄H₂₈Cl₂N₈O₂ and molecular weight is 651.55. What's more, its systematic name is 4,4'-[(3,3'-dichlorobiphenyl-4,4'-diyl)di(E)diazene-2,1-diyl]bis[5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one].

Physical properties of Pigment Orange 34 are: (1)ACD/LogP: 6.91; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 6.91; (4)ACD/LogD (pH 7.4): 6.91; (5)ACD/BCF (pH 5.5): 105421.84; (6)ACD/BCF (pH 7.4): 105423.35; (7)ACD/KOC (pH 5.5): 137085.19; (8)ACD/KOC (pH 7.4): 137087.16; (9)#H bond acceptors: 10; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 114.78 Å²; (13)Index of Refraction: 1.699; (14)Molar Refractivity: 180.35 cm³; (15)Molar Volume: 467.1 cm³; (16)Surface Tension: 53.6 dyne/cm; (17)Density: 1.39 g/cm³; (18)Flash Point: 468.1 °C; (19)Enthalpy of Vaporization: 123.57 kJ/mol; (20)Boiling Point: 850.4 °C at 760 mmHg; (21)Vapour Pressure: 3.3E-29 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C5N(/N=C(/C)C5/N=N/c1ccc(cc1Cl)c4ccc(/N=N/C3\C(=N/N(c2ccc(cc2)C)C3=O)C)c(Cl)c4)c6ccc(cc6)C
(2)InChI: InChI=1S/C34H28Cl2N8O2/c1-19-5-11-25(12-6-19)43-33(45)31(21(3)41-43)39-37-29-15-9-23(17-27(29)35)24-10-16-30(28(36)18-24)38-40-32-22(4)42-44(34(32)46)26-13-7-20(2)8-14-26/h5-18,31-32H,1-4H3/b39-37+,40-38+
(3)InChIKey: UIBAAMBCJDNDSQ-HVMBLDELSA-N