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| CAS No.: | 2195-47-3 |
|---|---|
| Name: | 4-FLUORO-4'-NITROBENZOPHENONE |
| Article Data: | 20 |
| Molecular Structure: | |
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| Formula: | C13H8FNO3 |
| Molecular Weight: | 245.21 |
| Synonyms: | 4-Fluoro-4'-nitrobenzophenone 98%; |
| Density: | 1.335 g/cm3 |
| Melting Point: | 87-89 °C |
| Boiling Point: | 397.2 °C at 760 mmHg |
| Flash Point: | 194 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 62.89000 |
| LogP: | 3.48810 |
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- Total:21 Page 1 of 1 1
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Specification
The Methanone,(4-fluorophenyl)(4-nitrophenyl)-, with the CAS registry number of 2195-47-3, is also known as 4-Fluoro-4'-nitrobenzophenone 98%. This chemical's molecular formula is C13H8FNO3 and molecular weight is 245.21. What's more, its IUPAC name is (4-Fluorophenyl)-(4-nitrophenyl)methanone.
Physical properties about the Methanone,(4-fluorophenyl)(4-nitrophenyl)- are: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.27; (4)ACD/LogD (pH 7.4): 3.27; (5)ACD/BCF (pH 5.5): 180.73; (6)ACD/BCF (pH 7.4): 180.73; (7)ACD/KOC (pH 5.5): 1436.11; (8)ACD/KOC (pH 7.4): 1436.11; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 62.89 Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 62.58 cm3; (15)Molar Volume: 183.5 cm3; (16)Surface Tension: 50.5 dyne/cm; (17)Density: 1.335 g/cm3; (18)Flash Point: 194 °C; (19)Enthalpy of Vaporization: 64.76 kJ/mol; (20)Boiling Point: 397.2 °C at 760 mmHg; (21)Vapour Pressure: 1.62E-06 mmHg at 25 °C.
Preparation: this chemical is prepared by reaction of 4-Nitro-benzoyl chloride with Fluorobenzene. The reaction needs reagent AlCl3. The reaction time is 4 h with reaction temperature of 20 °C. The yield is about 60 %.
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Uses: it is used to produce other chemicals. For example, it is used to produce 4-Nitro-benzoic acid-(4-fluoro-phenyl ester). This reaction needs reagent AcOH and Ac2O. The reaction time is 4 h. The yield is about 99.3 %.
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When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(F)cc1)c2ccc([N+]([O-])=O)cc2
(2) InChI: InChI=1/C13H8FNO3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(8-4-10)15(17)18/h1-8H
(3) InChIKey: ICDAYOOBGHYICW-UHFFFAOYAG