2,3-DICHLOROBENZAMIDE

The Benzamide, 2, 3-dichloro-, with the CAS registry number of 5980-24-5, belongs to the product category of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. This chemical's molecular formula is C₇H₅Cl₂NO and molecular weight is 190.03. What's more, its systematic name is called 2, 3-Dichlorobenzamide. In addition, it must be stored in airtight containers and placed in a dry, cool place at room temperature. Meanwhile, it should be avoided contact with light.

Physical properties about Benzamide, 2, 3-dichloro- are: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.57; (5)ACD/BCF (pH 5.5): 9.27; (6)ACD/BCF (pH 7.4): 9.27; (7)ACD/KOC (pH 5.5): 171.3; (8)ACD/KOC (pH 7.4): 171.3; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 44.97 cm³; (15)Molar Volume: 132 cm³; (16)Surface Tension: 51.3 dyne/cm; (17)Density: 1.439 g/cm³; (18)Flash Point: 115.9 °C; (19)Enthalpy of Vaporization: 50.6 kJ/mol; (20)Boiling Point: 268 °C at 760 mmHg; (21)Vapour Pressure: 0.0079 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Urea with 2, 3-Dichloro-benzoic acid. The reaction needs reagent HCOOH. The reaction time is 2 hours with reaction temperature of 130-180 °C. The yield is about 57 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(C(=O)N)cccc1Cl
(2) InChI: InChI=1/C7H5Cl2NO/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H2,10,11)
(3) InChIKey: KZKYRHRAVGWEAV-UHFFFAOYAV