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| CAS No.: | 66073-54-9 |
|---|---|
| Name: | 2-Fluoro-6-chlorobenzamide |
| Article Data: | 9 |
| Molecular Structure: | |
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|
|
| Formula: | C7H5ClFNO |
| Molecular Weight: | 173.574 |
| Synonyms: | 2-Chloro-6-fluorobenzamide;NSC 148353;Benzamide, 2-chloro-6-fluoro-; |
| EINECS: | 266-123-9 |
| Density: | 1.396 g/cm3 |
| Melting Point: | 139-141 °C |
| Boiling Point: | 226.2 °C at 760 mmHg |
| Flash Point: | 90.6°C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 22-26-36/37/39 |
| PSA: | 43.09000 |
| LogP: | 2.27830 |
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Specification
The 2-Fluoro-6-chlorobenzamide, with the cas registry number 66073-54-9 and EINECS registry number 266-123-9, has the systematic name of 2-chloro-6-fluorobenzamide. And the molecular formula of the chemical is C7H5ClFNO.
The characteristics of this chemical are as followings: (1)ACD/LogP: 0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.39; (4)ACD/LogD (pH 7.4): 0.39; (5)ACD/BCF (pH 5.5): 1.16; (6)ACD/BCF (pH 7.4): 1.16; (7)ACD/KOC (pH 5.5): 38.77; (8)ACD/KOC (pH 7.4): 38.77; (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: 1.557; (14)Molar Refractivity: 40.07 cm3; (15)Molar Volume: 124.2 cm3; (16)Polarizability: 15.88×10-24cm3; (17)Surface Tension: 46.5 dyne/cm; (18)Density: 1.396 g/cm3; (19)Flash Point: 90.6 °C; (20)Enthalpy of Vaporization: 46.27 kJ/mol; (21)Boiling Point: 226.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0829 mmHg at 25°C.
Preparation of 2-Fluoro-6-chlorobenzamide: This chemical can be prepared by 2-chloro-6-fluorobenzonitrile. The reaction will need reagent 90% H2SO4, and the reaction time is 3.5 hour with temperature of 70°C, and the yield is about 80%.
Uses of 2-Fluoro-6-chlorobenzamide: It can react with oxalyl dichloride to produce 2-chloro-6-fluoro-benzoyl isocyanate. This reaction will need menstruum 1,2-dichloro-ethane. The reaction time is 22 hour with temperature of 40-50°C, and the yield is about 78%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and is harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, do not breathe dust, 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: O=C(c1c(F)cccc1Cl)N
(2)InChI: InChI=1/C7H5ClFNO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
(3)InChIKey: KLOZZZNFJYMTNE-UHFFFAOYAM