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4'-Bromo-2'-fluoroacetanilide

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Name

4'-Bromo-2'-fluoroacetanilide

EINECS 206-314-6
CAS No. 326-66-9 Density 1.623 g/cm3
PSA 29.10000 LogP 2.61960
Solubility N/A Melting Point 148-151 °C
Formula C8H7BrFNO Boiling Point 332.9 °C at 760 mmHg
Molecular Weight 232.052 Flash Point 155.1 °C
Transport Information UN 2811 Appearance Light beige amorphous powder
Safety 45-28 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 326-66-9 (4'-Bromo-2'-fluoroacetanilide) Hazard Symbols IrritantXi; HarmfulXn
Synonyms

Acetanilide,4'-bromo-2'-fluoro- (6CI,8CI);(4-Bromo-2-fluorophenyl)acetamide;2'-Fluoro-4'-bromoacetanilide;4-Acetamido-3-fluoro-1-bromobenzene;N-(4-Bromo-2-fluorophenyl)acetamide;N-Acetyl-4-bromo-2-fluoroaniline;

Article Data 10

4'-Bromo-2'-fluoroacetanilide Specification

The IUPAC name of this chemical is N-(4-Bromo-2-fluorophenyl)acetamide. With the CAS registry number 326-66-9 and EINECS registry number 206-314-6, it is also named as acetamide,N-(4-bromo-2-fluorophenyl)-. In addition, the molecular formula is C8H7BrFNO and the molecular weight is 232.05. It is a kind of light beige amorphous powder and belongs to the classes of Fluorobenzene; Benzenes; Anilines, Amides & Amines; Bromine Compounds; Fluorine Compounds; Nitrogen Compounds; Organic Building Blocks; Protected Amines. And it should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 2.10; (2)ACD/LogD (pH 5.5): 2.1; (3)ACD/LogD (pH 7.4): 2.1; (4)ACD/BCF (pH 5.5): 23.19; (5)ACD/BCF (pH 7.4): 23.19; (6)ACD/KOC (pH 5.5): 330.29; (7)ACD/KOC (pH 7.4): 330.29; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 20.31 Å2; (12)Index of Refraction: 1.589; (13)Molar Refractivity: 48.2 cm3; (14)Molar Volume: 142.9 cm3; (15)Polarizability: 19.11 ×10-24cm3; (16)Surface Tension: 44.2 dyne/cm; (17)Density: 1.623 g/cm3; (18)Flash Point: 155.1 °C; (19)Enthalpy of Vaporization: 57.57 kJ/mol; (20)Boiling Point: 332.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000141 mmHg at 25°C.

Preparation of N-(4-Bromo-2-fluorophenyl)acetamide: it can be prepared by N-(4-bromo-phenyl)-acetamide. This reaction will need reagent CH3COOF and solvents CH2Cl2 and CCl3F. The yield is about 65% at reaction temperature of-75 °C.

N-(4-Bromo-2-fluorophenyl)acetamide can be prepared by N-(4-bromo-phenyl)-acetamide

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and irritating to eyes, respiratory system and skin. If contact it with skin, you should wash it immediately with plenty of ... (to be specified by the manufacturer). In addition, in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(F)c(NC(=O)C)cc1
(2)InChI: InChI=1/C8H7BrFNO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,1H3,(H,11,12)
(3)InChIKey: BCYGKMDWQBWUSC-UHFFFAOYAW

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