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Octyl triazone

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Name Octyl triazone EINECS
CAS No. 88122-99-0 Density 1.129 g/cm3
Solubility Melting Point
Formula C48H66N6O6 Boiling Point 869.5 °C at 760 mmHg
Molecular Weight 823.07 Flash Point 479.6 °C
Transport Information Appearance
Safety 61 Risk Codes 53
Molecular Structure Molecular Structure of 88122-99-0 (Benzoic acid,4,4',4''-(1,3,5-triazine-2,4,6-triyltriimino)tris-, 1,1',1''-tris(2-ethylhexyl)ester) Hazard Symbols
Synonyms

Benzoicacid, 4,4',4''-(1,3,5-triazine-2,4,6-triyltriimino)tris-, tris(2-ethylhexyl)ester (9CI);2,4,6-Trianilino(p-carbo-2-ethylhexyl-1-oxy)-1,3,5-triazine;2,4,6-Trianilino(p-carbo-2-ethylhexyloxy)-1,3,5-triazine;Ethylhexyl triazone;Octyl triazone;Uvinul T 150;

 

Specification

The Octyl triazone with its cas register number is 88122-99-0. It also can be called as 4,4',4''-(1,3,5-Triazine-2,4,6-triyltriimino)trisbenzoic acid tris(2-ethylhexyl) ester and the IUPAC Name about this chemical is  2-ethylhexyl4-[[4,6-bis[4-(2-ethylhexoxycarbonyl)anilino]-1,3,5-triazin-2-yl]amino]benzoate.

Physical properties about Octyl triazone are: (1)ACD/LogP: 15.53; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 15.53; (4)ACD/LogD (pH 7.4): 15.53; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 12; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 27; (12)Polar Surface Area: 127.29Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 241.13 cm3; (15)Molar Volume: 728.6 cm3; (16)Polarizability: 95.59x10-24cm3; (17)Surface Tension: 47.3 dyne/cm; (18)Enthalpy of Vaporization: 126.36 kJ/mol; (19)Vapour Pressure: 1.13E-30 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause long-term adverse effects in the aquatic environment. When you are using it, please avoid release to the environment. Refer to special instructions / safety data sheets.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(CC)CCCC)c1ccc(cc1)Nc2nc(nc(n2)Nc3ccc(C(=O)OCC(CC)CCCC)cc3)Nc4ccc(C(=O)OCC(CC)CCCC)cc4
(2)InChI: InChI=1/C48H66N6O6/c1-7-13-16-34(10-4)31-58-43(55)37-19-25-40(26-20-37)49-46-52-47(50-41-27-21-38(22-28-41)44(56)59-32-35(11-5)17-14-8-2)54-48(53-46)51-42-29-23-39(24-30-42)45(57)60-33-36(12-6)18-15-9-3/h19-30,34-36H,7-18,31-33H2,1-6H3,(H3,49,50,51,52,53,54)
(3)InChIKey: JGUMTYWKIBJSTN-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C48H66N6O6/c1-7-13-16-34(10-4)31-58-43(55)37-19-25-40(26-20-37)49-46-52-47(50-41-27-21-38(22-28-41)44(56)59-32-35(11-5)17-14-8-2)54-48(53-46)51-42-29-23-39(24-30-42)45(57)60-33-36(12-6)18-15-9-3/h19-30,34-36H,7-18,31-33H2,1-6H3,(H3,49,50,51,52,53,54)
(5)Std. InChIKey: JGUMTYWKIBJSTN-UHFFFAOYSA-N

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