The IUPAC name of this product is 3-aminobenzoic acid. With the CAS registry number 99-05-8, it is also named as 3-Carboxyaniline; 4-14-00-01092 (Beilstein Handbook Reference); AI3-04707; Aniline-3-carboxylic acid; BRN 0471603; MABA; NSC 15012; m-Carboxyaniline; Benzoic acid, 3-amino-. The product's categories are fine chemical & intermediates, aromatic carboxylic acids, amides, anilides, anhydrides & salts, organic acids, peptide synthesis and unnatural amino acid derivatives.
The 3-Aminobenzoic Acid is white to off white crystalline powder which is soluble in acetone, boiling water, hot alcohol, hot chloroform and ether, slightly soluble in cold water, cold alcohol and cold chloroform, insoluble in benzene and gasoline. It is used as medicine and dye intermediate in the manufacture of azo dyes, medicine, bile acid and B-iodobenzene shadow acids, reagents.
The 3-Aminobenzoic Acid is toxic. It is flammable and it can produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry. So this product is harmful if swallowed. It is irritating to eyes, respiratory system and skin. 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: 0.78 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -0.38 ; (4)ACD/LogD (pH 7.4): -1.97 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 4.33 ; (8)ACD/KOC (pH 7.4): 1 ; (9)#H bond acceptors: 3 ; (10)#H bond donors: 3 ; (11)#Freely Rotating Bonds: 2 ; (12)Index of Refraction: 1.637 ; (13)Molar Refractivity: 37.41 cm3 ; (14)Molar Volume: 104.2 cm3 ; (15)Polarizability: 14.83×10-24 cm3 ; (16)Surface Tension: 64.3 dyne/cm ; (17)Enthalpy of Vaporization: 63.04 kJ/mol ; (18)Vapour Pressure: 1.41E-05 mmHg at 25°C ; (19)Rotatable Bond Count: 1 ; (20)Exact Mass: 137.047678 ; (21)MonoIsotopic Mass: 137.047678 ; (22)Topological Polar Surface Area: 63.3 ; (23)Heavy Atom Count: 10 ; (24)Complexity: 136.
People can use the following data to convert to the molecule structure. SMILES: O=C(O)c1cc(N)ccc1; InChI: InChI=1/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10); InChIKey: XFDUHJPVQKIXHO-UHFFFAOYAM. 3-Aminobenzoic Acid has many suppliers, such as Changzhou Sunlight Pharmaceutical Co., Ltd..
The following is the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
| bird - wild | LD50 | oral | 750mg/kg (750mg/kg) | | Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983. |
| mouse | LD50 | oral | 6300mg/kg (6300mg/kg) | | Quarterly Journal of Pharmacy & Pharmacology. Vol. 19, Pg. 483, 1946. |
| mouse | LDLo | intraperitoneal | 500mg/kg (500mg/kg) | | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 53, 1954. |
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