3,4-DIFLUOROBENZAMIDE

The Benzamide,3,4-difluoro-, with the CAS registry number 85118-04-3 and EINECS registry number 285-656-8, has the systematic name and IUPAC name of 3,4-difluorobenzamide. It belongs to the following product categories: Anilines, Amides & Amines; Fluorine Compounds; Amides; Carbonyl Compounds; Organic Building Blocks. And the molecular formula of the chemical is C₇H₅F₂NO.

The characteristics of Benzamide,3,4-difluoro- are as followings: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): 0.99; (5)ACD/BCF (pH 5.5): 3.33; (6)ACD/BCF (pH 7.4): 3.33; (7)ACD/KOC (pH 5.5): 82.27; (8)ACD/KOC (pH 7.4): 82.27; (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: 1.515; (14)Molar Refractivity: 35.17 cm³; (15)Molar Volume: 116.5 cm³; (16)Polarizability: 13.94×10^-24cm³; (17)Surface Tension: 41.5 dyne/cm; (18)Density: 1.348 g/cm³; (19)Flash Point: 80.8 °C; (20)Enthalpy of Vaporization: 44.63 kJ/mol; (21)Boiling Point: 210 °C at 760 mmHg; (22)Vapour Pressure: 0.196 mmHg at 25°C.

Uses of Benzamide,3,4-difluoro-: It can be used to produce 3,4-difluorobenzonitrile. This reaction will need reagent SOCl₂, and the menstruum chlorobenzene. The reaction time is 3 hours with heating, and the yield is about 71%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1ccc(C(=O)N)cc1F
(2)InChI: InChI=1/C7H5F2NO/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11)
(3)InChIKey: CMWOHNIHUBDEAG-UHFFFAOYAU