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CAS No.: | 88487-25-6 |
---|---|
Name: | 2-CHLORO-6-FLUOROBENZAMIDE |
Molecular Structure: | |
Formula: | C7H5ClFNO |
Molecular Weight: | 173.574 |
Synonyms: | 2-Chloro-5-fluorobenzamide;3-Carbamoyl-4-chloro-1-fluorobenzene; |
Density: | 1.396g/cm3 |
Melting Point: | 134-137 °C |
Boiling Point: | 230.1 °C at 760 mmHg |
Flash Point: | 92.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36-37 |
PSA: | 43.09000 |
LogP: | 2.27830 |
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The Benzamide,2-chloro-5-fluoro-, with CAS registry number 88487-25-6, has the systematic name of 5-chloro-2-fluorobenzamide. Besides this, it is also called 2-Chloro-6-fluorobenzamide. Its molecular weight is 173.57. And the chemical formula of this chemical is C7H5ClFNO.
Physical properties of Benzamide,2-chloro-5-fluoro-: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.36; (4)ACD/LogD (pH 7.4): 1.36; (5)ACD/BCF (pH 5.5): 6.36; (6)ACD/BCF (pH 7.4): 6.36; (7)ACD/KOC (pH 5.5): 130.78; (8)ACD/KOC (pH 7.4): 130.78; (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: 92.9 °C; (20)Enthalpy of Vaporization: 46.67 kJ/mol; (21)Boiling Point: 230.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0672 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Benzamide,2-chloro-5-fluoro- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(C(=O)N)cc(Cl)cc1
(2)InChI: InChI=1/C7H5ClFNO/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H2,10,11)
(3)InChIKey: VTSILFLCXIRODM-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H5ClFNO/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H2,10,11)
(5)Std. InChIKey: VTSILFLCXIRODM-UHFFFAOYSA-N