Sudan Ⅲ (85-86-9)

The IUPAC name of Oil Red is (1Z)-1-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalen-2-one. With the CAS registry number 85-86-9, it is also named as C.I. Solvent Red 23; 2-Naphthalenol, 1-((4-(phenylazo)phenyl)azo)-. The product's categories are organics; solvent dyestuff. It is reddish brown powder which is toxic, flammable, stable and incompatible with strong oxidizing agents. And Oil Red will produce toxic nitrogen oxide fumes when buring, so the storage environment should be ventilate, low-temperature and dry.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 5.74; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.74; (4)ACD/LogD (pH 7.4): 5.74; (5)ACD/BCF (pH 5.5): 13495.4; (6)ACD/BCF (pH 7.4): 13495.38; (7)ACD/KOC (pH 5.5): 31475.66; (8)ACD/KOC (pH 7.4): 31475.63; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.661; (13)Molar Refractivity: 106.81 cm³; (14)Molar Volume: 288.6 cm³; (15)Polarizability: 42.34×10^-24 cm³; (16)Surface Tension: 50.4 dyne/cm; (17)Enthalpy of Vaporization: 90.58 kJ/mol; (18)Vapour Pressure: 2.9E-14 mmHg at 25°C; (19)Rotatable Bond Count: 4; (20)Tautomer Count: 5; (21)Exact Mass: 352.132411; (22)MonoIsotopic Mass: 352.132411; (23)Topological Polar Surface Area: 66.2; (24)Heavy Atom Count: 27.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation. And it is irritating to eyes, respiratory system and skin, so people should not breathe dust and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing. 

People can use the following data to convert to the molecule structure. 
1. SMILES: Oc4ccc1ccccc1c4/N=N/c3ccc(\N=N/c2ccccc2)cc3;
2. InChI: InChI=1/C22H16N4O/c27-21-15-10-16-6-4-5-9-20(16)22(21)26-25-19-13-11-18(12-14-19)24-23-17-7-2-1-3-8-17/h1-15,27H/b24-23-,26-25+.

The following are the toxicity data which has been tested. 

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 8 ,1975,p. 241.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Reported in EPA TSCA Inventory.