Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4'-Fluoro-3'-nitroacetophenone |
EINECS | -0 |
CAS No. | 400-93-1 | Density | 1.336 g/cm3 |
PSA | 62.89000 | LogP | 2.45970 |
Solubility | N/A | Melting Point |
46-50 °C |
Formula | C8H6FNO3 | Boiling Point | 261.2 °C at 760 mmHg |
Molecular Weight | 183.139 | Flash Point | 111.7 °C |
Transport Information | N/A | Appearance | light yellow crystalline powder |
Safety | 37/39-26 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3'-nitro-4'-fluoroacetophenone;1-(4-fluoro-3-nitrophenyl)ethanone;4-Fluoro-3-nitroacetophenone;3-Nitro-4-Fluoro Acetophenone;1-(4-fluoro-3-nitro-phenyl)ethanone; |
Article Data | 15 |
The 4-Fluoro-3-nitroacetophenone with CAS registry number of 400-93-1 is also known as 1-(3-Nitro-4-fluorophenyl)ethanone. The IUPAC name is 1-(4-Fluoro-3-nitrophenyl)ethanone. It belongs to product categories of ketone; Miscellaneous; C7 to C8; Carbonyl Compounds; Ketones; Acetophenone series. In addition, the formula is C8H6FNO3 and the molecular weight is 183.14. This chemical is a light yellow crystalline powder.
Physical properties about 4-Fluoro-3-nitroacetophenone are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 5.11; (6)ACD/BCF (pH 7.4): 5.11; (7)ACD/KOC (pH 5.5): 111.91; (8)ACD/KOC (pH 7.4): 111.91; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.89Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 42.82 cm3; (15)Molar Volume: 137 cm3; (16)Polarizability: 16.97×10-24cm3; (17)Surface Tension: 45 dyne/cm; (18)Density: 1.336 g/cm3; (19)Flash Point: 111.7 °C; (20)Enthalpy of Vaporization: 49.89 kJ/mol; (21)Boiling Point: 261.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0117 mmHg at 25 °C.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable gloves and eye/face protection. 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. Canonical SMILES: CC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]
2. InChI: InChI=1S/C8H6FNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3
3. InChIKey: PTCNZDJJIOLIKQ-UHFFFAOYSA-N