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| CAS No.: | 73792-22-0 |
|---|---|
| Name: | 1-(4-amino-3-fluorophenyl)ethan-1-one |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C8H8FNO |
| Molecular Weight: | 153.156 |
| Synonyms: | 1-(4-Amino-3-fluorophenyl)ethanone;3-Fluoro-4-aminoacetophenone;4-Acetyl-2-fluoroaniline;4'-Amino-3'-fluoroacetophenone; |
| EINECS: | 277-610-0 |
| Density: | 1.201 g/cm3 |
| Melting Point: | 86-88℃ |
| Boiling Point: | 286.4 °C at 760 mmHg |
| Flash Point: | 127 °C |
| PSA: | 43.09000 |
| LogP: | 2.19170 |
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- Total:32 Page 1 of 1 1
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Specification
The Ethanone,1-(4-amino-3-fluorophenyl)-, with the CAS registry number 73792-22-0, is also known as 3-Fluoro-4-aminoacetophenone. It belongs to the product categories of Acetylgroup. Its EINECS registry number is 277-610-0. This chemical's molecular formula is C8H8FNO and molecular weight is 153.1536232. What's more, its IUPAC name and systematic name are the same which is called 1-(4-Amino-3-fluorophenyl)ethanone.
Physical properties about Ethanone,1-(4-amino-3-fluorophenyl)-: (1)ACD/LogP: 0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.8; (4)ACD/LogD (pH 7.4): 0.8; (5)ACD/BCF (pH 5.5): 2.37; (6)ACD/BCF (pH 7.4): 2.37; (7)ACD/KOC (pH 5.5): 64.62; (8)ACD/KOC (pH 7.4): 64.62; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 40.51 cm3; (15)Molar Volume: 127.4 cm3; (16)Surface Tension: 42.4 dyne/cm; (17)Density: 1.201 g/cm3; (18)Flash Point: 127 °C; (19)Enthalpy of Vaporization: 52.55 kJ/mol; (20)Boiling Point: 286.4 °C at 760 mmHg; (21)Vapour Pressure: 0.00265 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(C(=O)C)ccc1N
(2) InChI: InChI=1/C8H8FNO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4H,10H2,1H3
(3) InChIKey: HAGOSDNWHSSVDX-UHFFFAOYAS