4'-Fluoro-3'-nitroacetophenone supplier

Name
4'-Fluoro-3'-nitroacetophenone
EINECS -0
CAS No. 400-93-1
Article Data15
CAS DataBase
Density 1.336 g/cm³
Solubility
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
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;
PSA 62.89000
LogP 2.45970

4'-Fluoro-3'-nitroacetophenone Specification

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

Product Name

4'-Fluoro-3'-nitroacetophenone

4'-Fluoro-3'-nitroacetophenone Specification

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