3'-Amino-4'-fluoroacetophenone supplier

Name
4-FLUORO-3-AMINO-ACETOPHENONE
EINECS
CAS No. 2002-82-6
Article Data17
CAS DataBase
Density 1.202 g/cm³
Solubility
Melting Point 70-72℃
Formula C₈H₈FNO
Boiling Point 289.571 °C at 760 mmHg
Molecular Weight 153.156
Flash Point 128.928 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetophenone,3'-amino-4'-fluoro- (6CI,7CI,8CI);1-(3-Amino-4-fluorophenyl)ethanone;4-Acetyl-2-aminofluorobenzene;4-Fluoro-3-amino-acetophenone;
PSA 43.09000
LogP 2.19170

3'-Amino-4'-fluoroacetophenone Specification

The IUPAC name of 3'-Amino-4'-fluoroacetophenone is 1-(3-amino-4-fluorophenyl)ethanone. With the CAS registry number 2002-82-6, it is also named as 4-Acetyl-2-aminofluorobenzene. The product's category is Acetophenone Series. In addition, its molecular formula is C₈H₈FNO and its molecular weight is 153.15.

The other characteristics of 3'-Amino-4'-fluoroacetophenone can be summarized as: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 87; (8)ACD/KOC (pH 7.4): 87; (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)Polarizability: 16.06×10^-24cm³; (17)Surface Tension: 42.495 dyne/cm; (18)Density: 1.202 g/cm³; (19)Flash Point: 128.928 °C; (20)Enthalpy of Vaporization: 52.888 kJ/mol; (21)Boiling Point: 289.571 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Fc1ccc(C(=O)C)cc1N
(2)InChI: InChI=1/C8H8FNO/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,10H2,1H3
(3)InChIKey: LUKSDHOQKVTGGT-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C8H8FNO/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,10H2,1H3
(5)Std. InChIKey: LUKSDHOQKVTGGT-UHFFFAOYSA-N

Product Name

4-FLUORO-3-AMINO-ACETOPHENONE

3'-Amino-4'-fluoroacetophenone Specification

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