CAS No.3520-72-7,Pigment Orange 13 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3520-72-7
Name:	Pigment Orange 13
Article Data:	2

Formula:	C₃₂H₂₄Cl₂N₈O₂
Molecular Weight:	623.501
Synonyms:	Vulcafix Orange J;Vulcafix Orange JV;Vulcafor Fast Orange G;Vulcan Fast Orange G;Vulcan Fast Orange GN;Vynamon Orange G;Benzidine Orange (6CI);Atul VulcanFast Pigment Orange G;Benzidine Orange 45-2880;C.I. 21110;Carnelio Orange G;Dainichi Fast Orange RR;Diarylide Orange;Eljon Fast Orange G;FlexonylOrange G 100;Irgalite Orange PX;Kromon Orange G;Latexol Fast Orange J;Lionol Orange B;Monolite Fast Orange GA;No. 59 Forthfast Benzidine Yellow;Oswego Orange X 2065;Permanent Orange G;Poloprint Orange G;Recolite Orange G;Segnale Light Orange G;Seikafast Orange 900;Silogomma Orange G;Siloton Orange GT;Syton Fast Orange G;
EINECS:	222-530-3
Density:	1.42 g/cm³
Boiling Point:	825.5 °C at 760 mmHg
Flash Point:	453.1 °C
Solubility:	insoluble in water
Appearance:	brown powder
Hazard Symbols:	20/21/22-36/37/38:;
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39
PSA:	114.78000
LogP:	7.41160

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Consensus Reports

C.I. PIGMENT ORANGE 13 is reported in EPA TSCA Inventory.

Specification

The C.I. Pigment orange 13, with the CAS registry number 3520-72-7 and EINECS registry number 222-530-3, has the systematic name of 4,4'-[(3,3'-dichlorobiphenyl-4,4'-diyl)di-(E)diazene-2,1-diyl]bis(5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one). It is a kind of brown powder, which insoluble in water and soluble in alcohol and acetone. And the molecular formula of the chemical is C₃₂H₂₄Cl₂N₈O₂. What's more, it is always used in the rubber industry, and it is also used for the pigmentation of printing ink, plastic, rubber and coating printing.

The physical properties of C.I. Pigment orange 13 are as followings: (1)ACD/LogP: 4.65; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 4.65; (4)ACD/LogD (pH 7.4): 4.65; (5)ACD/BCF (pH 5.5): 2026.45; (6)ACD/BCF (pH 7.4): 2026.47; (7)ACD/KOC (pH 5.5): 8101.35; (8)ACD/KOC (pH 7.4): 8101.43; (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: 1.714; (14)Molar Refractivity: 171.5 cm³; (15)Molar Volume: 436.8 cm³; (16)Polarizability: 67.99×10^-24cm³; (17)Surface Tension: 57.3 dyne/cm; (18)Density: 1.42 g/cm³; (19)Flash Point: 453.1 °C; (20)Enthalpy of Vaporization: 119.98 kJ/mol; (21)Boiling Point: 825.5 °C at 760 mmHg; (22)Vapour Pressure: 2.19E-27 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: C/C6=N/N(c1ccccc1)C(=O)C6/N=N/c2ccc(cc2Cl)c5ccc(/N=N/C4C(\C)=N/N(c3ccccc3)C4=O)c(Cl)c5
(2)InChI: InChI=1/C32H24Cl2N8O2/c1-19-29(31(43)41(39-19)23-9-5-3-6-10-23)37-35-27-15-13-21(17-25(27)33)22-14-16-28(26(34)18-22)36-38-30-20(2)40-42(32(30)44)24-11-7-4-8-12-24/h3-18,29-30H,1-2H3/b37-35+,38-36+
(3)InChIKey: HKYYDLYCGBDWSB-ATXIYDNEBO

The toxicity data is as follows:

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,