CAS No.5102-83-0,Pigment Yellow 12 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5102-83-0
Name:	Pigment Yellow 12

Formula:	C₃₆H₃₄Cl₂N₆O₄
Molecular Weight:	685.61
Synonyms:	Butanamide,2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxo-(9CI);2,2'-[(3,3'-Dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxobutanamide;Benzidine Yellow GE;C.I. 21100;Diarylide Yellow;Elkon Fast Yellow GR;Graphtol Yellow RGS;Helio Fast Yellow GRN;Hostaperm Yellow GR;Irgalite Yellow BAW;Irgalite Yellow BGW;Irgalite Yellow LBIW;Isol Benzidine Fast Yellow GRX spec;IsolDiaryl Yellow GRF;Keystone Jet Print Micro Yellow;Latexol Fast Yellow JR;Lionol Yellow 1314;Lionol Yellow FG 1310;Microlith Yellow BAW-WA;MonoliteFast Yellow GLV;Monolite Yellow GLA;PermanentYellow GR;
EINECS:	225-822-9
Density:	1.29 g/cm³
Melting Point:	312-320 °C
Boiling Point:	799.5 °C at 760 mmHg
Flash Point:	437.3 °C
Solubility:	water: <0.1 g/100 mL at 22 °C
Appearance:	Odorless fine yellow powder.
PSA:	141.78000
LogP:	9.40000

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The C.I. Pigment Yellow 13, with its CAS registry number 5102-83-0, has the IUPAC name of 2-[[2-chloro-4-[3-chloro-4-[[1-(2,4-dimethylanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide. Besides, its product categories are including organics. As to its usage, it is mainly used in printing inks and lacquers giving good heat resistance, high tinctorial strength and high transparency, stoving lacquers and inks for wrappers, tinplate printing and wallpaper,etc.

The characteristics of this chemical are as below: (1)ACD/LogP: 10.50; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 7.64; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 77921.08; (6)ACD/BCF (pH 7.4): 18009.07; (7)ACD/KOC (pH 5.5): 17033.3; (8)ACD/KOC (pH 7.4): 3936.73; (9)#H bond acceptors: 10; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 124.2; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 188.09 cm³; (15)Molar Volume: 527.4 cm³; (16)Polarizability: 74.56×10^-24 cm³; (17)Surface Tension: 46.7 dyne/cm; (18)Density: 1.29 g/cm³; (19)Flash Point: 437.3 °C; (20)Enthalpy of Vaporization: 116.26 kJ/mol; (21)Boiling Point: 799.5 °C at 760 mmHg; (22)Vapour Pressure: 1.42E-25 mmHg at 25°C; (23)Exact Mass: 684.201859; (24)MonoIsotopic Mass: 684.201859; (25)Topological Polar Surface Area: 142; (26)Heavy Atom Count: 48; (27)Complexity: 1110.

Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1=CC(=C(C=C1)NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=C(C=C(C=C4)C)C)Cl)Cl)C
(2)InChI: InChI=1S/C36H34Cl2N6O4/c1-19-7-11-29(21(3)15-19)39-35(47)33(23(5)45)43-41-31-13-9-25(17-27(31)37)26-10-14-32(28(38)18-26)42-44-34(24(6)46)36(48)40-30-12-8-20(2)16-22(30)4/h7-18,33-34H,1-6H3,(H,39,47)(H,40,48)
(3)InChIKey: IAFBRPFISOTXSO-UHFFFAOYSA-N

Below are the toxicity information of this chemical:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	> 5gm/kg (5000mg/kg)		United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0690-0962,