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CAS No.: | 132980-99-5 |
---|---|
Name: | 3,5-DIFLUOROBENZAMIDE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C7H5F2NO |
Molecular Weight: | 157.12 |
Synonyms: | 3,5-Difluorobenzamide; |
EINECS: | -0 |
Density: | 1.348 g/cm3 |
Melting Point: | 155-159 °C(lit.) |
Boiling Point: | 187.7 °C at 760 mmHg |
Flash Point: | 67.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36-36/37 |
PSA: | 43.09000 |
LogP: | 1.76400 |
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The Benzamide,3,5-difluoro- is an organic compound with the formula C7H5F2NO. The IUPAC name of this chemical is 3,5-difluorobenzamide. With the CAS registry number 132980-99-5, the product's category is Halide; Amide; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Amides; Carbonyl Compounds; Organic Building Blocks. Besides, it should be stored in a closed cool and dry place.
Physical properties about Benzamide,3,5-difluoro- are: (1)ACD/LogP: 1.12; (2)ACD/LogD (pH 5.5): 1.12; (3)ACD/LogD (pH 7.4): 1.12; (4)ACD/BCF (pH 5.5): 4.16; (5)ACD/BCF (pH 7.4): 4.16; (6)ACD/KOC (pH 5.5): 96.53; (7)ACD/KOC (pH 7.4): 96.53; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 20.31 Å2; (12)Index of Refraction: 1.515; (13)Molar Refractivity: 35.17 cm3; (14)Molar Volume: 116.5 cm3; (15)Polarizability: 13.94×10-24cm3; (16)Surface Tension: 41.5 dyne/cm; (17)Density: 1.348 g/cm3; (18)Flash Point: 67.3 °C; (19)Enthalpy of Vaporization: 42.39 kJ/mol; (20)Boiling Point: 187.7 °C at 760 mmHg; (21)Vapour Pressure: 0.622 mmHg at 25°C.
Preparation of Benzamide,3,5-difluoro-: this chemical can be prepared by 3,5-difluorobenzonitrile. This reaction will need reagent KOH and solvent 2-methyl-propan-2-ol. The reaction time is 60 min by heating. The yield is about 75%.
Uses of Benzamide,3,5-difluoro-: it can be used to produce 3,5-difluorobenzenecarboximidic acid ethyl ester tetrafluoroborate at ambient temperature. It will need solvent CH2Cl2. The yield is about 60%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and gloves. In case of 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: Fc1cc(C(=O)N)cc(F)c1
(2)InChI: InChI=1/C7H5F2NO/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H2,10,11)
(3)InChIKey: CGOIBYYWOVRGGV-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C7H5F2NO/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H2,10,11)
(5)Std. InChIKey: CGOIBYYWOVRGGV-UHFFFAOYSA-N