Brilliant Red Developing Base 4B (97-52-9)

The IUPAC name of Fast Red B Base is 2-methoxy-4-nitroaniline. With the CAS registry number 97-52-9, it is also named as 2-Amino-1-methoxy-5-nitrobenzene; 2-Amino-5-nitroanisol; 2-Methoxy-4-nitrobenzenamine; 4-13-00-00903 (Beilstein Handbook Reference); Amarthol Fast Red B Base; Anisole, 2-amino-5-nitro-; Dainichi Fast Red B Base; Naphthanil Red B Base; p-Nitro-o-anisidine. The product's categories are intermediates of dyes and pigments, anilines, amides & amines, anisoles, alkyloxy compounds & phenylacetates and nitro compounds.

The Fast Red B Base is yellow to orange crystalline powder which is easily soluble in acetone, soluble in ethanol, ethyl acetate, acetic acid and benzene, and slightly soluble in water. It is mainly used for cotton fabric dyeing and printing color, but also used to make quick color, purplish red, golden, black and other organic pigments.

The Fast Red B Base is toxic. It is flammable by fire and will produce toxic aniline and nitrogen oxide gas by heat. So the storage environment should be ventilate, low-temperature and dry. This chemical is harmful by inhalation, in contact with skin and if swallowed. 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 and gloves and eye/face protection.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.85; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 15; (6)ACD/BCF (pH 7.4): 15; (7)ACD/KOC (pH 5.5): 241.81; (8)ACD/KOC (pH 7.4): 241.81; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.601; (13)Molar Refractivity: 43.71 cm³; (14)Molar Volume: 127.5 cm³; (15)Polarizability: 17.32×10^-24 cm³; (16)Surface Tension: 53.6 dyne/cm; (17)Enthalpy of Vaporization: 61.03 kJ/mol; (18)Vapour Pressure: 1.71E-05 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 168.053492; (21)MonoIsotopic Mass: 168.053492; (22)Topological Polar Surface Area: 81.1; (23)Heavy Atom Count: 12.

People can use the following data to convert to the molecule structure. SMILES: [O-][N+](=O)c1cc(OC)c(N)cc1; InChI: InChI=1/C7H8N2O3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,8H2,1H3; InChIKey: GVBHRNIWBGTNQA-UHFFFAOYAF. Fast Red B Base has many suppliers, such as JS (Tianjin) Chemical & Metallurgical Co., Ltd., Jiangsu Joysun Chemicals Co., Ltd. and Nanjing Leader Chemical Co., Ltd..

The following is the toxicity data which has been tested. 

Reported in EPA TSCA Inventory.