Reported in EPA TSCA Inventory.
1. Introduction of 2-Methoxy-4-nitroaniline
2-Methoxy-4-nitroaniline, with the CAS registry number of 97-52-9, is also named as 2-Amino-1-methoxy-5-nitrobenzene; 2-Amino-5-nitroanisol; 2-Methoxy-4-nitrobenzenamine; 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.
2. Properties of 2-Methoxy-4-nitroaniline
The other characteristics of 2-Methoxy-4-nitroaniline 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.
3. Structure Descriptors of 2-Methoxy-4-nitroaniline
[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.
4. Toxicity of 2-Methoxy-4-nitroaniline
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | oral | 997mg/kg (997mg/kg) | "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 717, 1986. |
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