2-Chloro-3-nitrobenzoic acid

With the CAS registry number 3970-35-2, the IUPAC name of Benzoicacid, 2-chloro-3-nitro- is 2-chloro-3-nitrobenzoic acid. The product's categories are Acids and Derivatives; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; API intermediates; Carbonyl Compounds; Carboxylic Acids. It is white to light yellow crystal powder which is stable under normal temperature and pressure. Additionally, thsi chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.25; (4)ACD/LogD (pH 7.4): -1.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2 ; (12)Index of Refraction: 1.627; (13)Molar Refractivity: 44.62 cm³; (14)Molar Volume: 125.7 cm³; (15)Polarizability: 17.69×10^-24 cm³; (16)Surface Tension: 67.7 dyne/cm; (17)Enthalpy of Vaporization: 63.9 kJ/mol; (18)Vapour Pressure: 8.27E-06 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 200.982885; (21)MonoIsotopic Mass: 200.982885; (22)Topological Polar Surface Area: 83.1; (23)Heavy Atom Count: 13; (24)Complexity: 227.

Uses of Benzoicacid, 2-chloro-3-nitro-: It can react with 3,5-dimethoxy-aniline to get 2-(3,5-dimethoxy-phenylamino)-3-nitro-benzoic acid. This reaction needs reagent Cu. The yield is 34 %.

 

When you are using this chemical, please be cautious about it as the following:
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, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:O=[N+]([O-])c1cccc(C(=O)O)c1Cl
2. InChI:InChI=1/C7H4ClNO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11)