Acetamide, N-(2-bromophenyl)- CAS NO.614-76-6

This chemical is called Acetamide, N-(2-bromophenyl)-, and its systematic name is N-(2-bromophenyl)acetamide. With the molecular formula of C₈H₈BrNO, its product categories are Anilines, Amides & Amines; Bromine Compounds; Nitrogen Compounds; Organic Building Blocks; Protected Amines. The CAS registry number of this chemical is 614-76-6. In addition, this chemical should be sealed in the cool and dry place.

Other characteristics of the Acetamide, N-(2-bromophenyl)- can be summarised as followings: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/LogD (pH 7.4): 1.33; (5)ACD/BCF (pH 5.5): 6.08; (6)ACD/BCF (pH 7.4): 6.08; (7)ACD/KOC (pH 5.5): 126.71; (8)ACD/KOC (pH 7.4): 126.71; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 48.21 cm³; (15)Molar Volume: 138.7 cm³; (16)Polarizability: 19.11×10^-24cm³; (17)Surface Tension: 46.1 dyne/cm; (18)Density: 1.543 g/cm³; (19)Flash Point: 163.5 °C; (20)Enthalpy of Vaporization: 59.1 kJ/mol; (21)Boiling Point: 346.8 °C at 760 mmHg; (22)Vapour Pressure: 5.62E-05 mmHg at 25°C.

Uses of this chemical: The Acetamide, N-(2-bromophenyl)- could react with vinylbenzene, and obtain the o-trans-Styrylacetanilide. This reaction needs the reagents of Triethylamine, tri-o-tolylphosphine, palladium acetate, and the solvent of xylene. The yield is 55 %. In addition, this reaction should be taken for 9 hours at the temperature of 100 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: Brc1ccccc1NC(=O)C
2.InChI: InChI=1/C8H8BrNO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11)
3.InChIKey: VOBKUOHHOWQHFZ-UHFFFAOYAI

This chemical is called Acetamide, N-(2-bromophenyl)-, and its systematic name is N-(2-bromophenyl)acetamide. With the molecular formula of C₈H₈BrNO, its product categories are Anilines, Amides & Amines; Bromine Compounds; Nitrogen Compounds; Organic Building Blocks; Protected Amines. The CAS registry number of this chemical is 614-76-6. In addition, this chemical should be sealed in the cool and dry place.

Other characteristics of the Acetamide, N-(2-bromophenyl)- can be summarised as followings: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/LogD (pH 7.4): 1.33; (5)ACD/BCF (pH 5.5): 6.08; (6)ACD/BCF (pH 7.4): 6.08; (7)ACD/KOC (pH 5.5): 126.71; (8)ACD/KOC (pH 7.4): 126.71; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 48.21 cm³; (15)Molar Volume: 138.7 cm³; (16)Polarizability: 19.11×10^-24cm³; (17)Surface Tension: 46.1 dyne/cm; (18)Density: 1.543 g/cm³; (19)Flash Point: 163.5 °C; (20)Enthalpy of Vaporization: 59.1 kJ/mol; (21)Boiling Point: 346.8 °C at 760 mmHg; (22)Vapour Pressure: 5.62E-05 mmHg at 25°C.

Uses of this chemical: The Acetamide, N-(2-bromophenyl)- could react with vinylbenzene, and obtain the o-trans-Styrylacetanilide. This reaction needs the reagents of Triethylamine, tri-o-tolylphosphine, palladium acetate, and the solvent of xylene. The yield is 55 %. In addition, this reaction should be taken for 9 hours at the temperature of 100 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: Brc1ccccc1NC(=O)C
2.InChI: InChI=1/C8H8BrNO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11)
3.InChIKey: VOBKUOHHOWQHFZ-UHFFFAOYAI