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Name |
Ethanone,1-(4-amino-2-fluorophenyl)- |
EINECS | N/A |
CAS No. | 112279-56-8 | Density | 1.202 g/cm3 |
PSA | 43.09000 | LogP | 2.19170 |
Solubility | N/A | Melting Point |
110-112 °C |
Formula | C8H8FNO | Boiling Point | 297.863 °C at 760 mmHg |
Molecular Weight | 153.156 | Flash Point | 133.943 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Amino-2-fluoroacetophenone; |
Article Data | 6 |
The Ethanone, 1-(4-amino-2-fluorophenyl)-, with the CAS registry number of 112279-56-8, is also known as 4-Amino-2-fluoroacetophenone. It belongs to the product category of Acetylgroup. This chemical's molecular formula is C8H8FNO and molecular weight is 153.15. What's more, its systematic name is 1-(4-Amino-2-fluoro-phenyl)ethanone.
Physical properties about Ethanone, 1-(4-amino-2-fluorophenyl)- are: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.956; (4)ACD/LogD (pH 7.4): 0.956; (5)ACD/BCF (pH 5.5): 3.139; (6)ACD/BCF (pH 7.4): 3.139; (7)ACD/KOC (pH 5.5): 78.925; (8)ACD/KOC (pH 7.4): 78.929; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.09 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 40.511 cm3; (15)Molar Volume: 127.454 cm3; (16)Surface Tension: 42.495 dyne/cm; (17)Density: 1.202 g/cm3; (18)Flash Point: 133.943 °C; (19)Enthalpy of Vaporization: 53.774 kJ/mol; (20)Boiling Point: 297.863 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)c1ccc(cc1F)N
(2) InChI: InChI=1/C8H8FNO/c1-5(11)7-3-2-6(10)4-8(7)9/h2-4H,10H2,1H3
(3) InChIKey: CSRMETUFNPMTCM-UHFFFAOYAL