4-Bromo-2,6-dimethyl-N-acetylaniline supplier

Name
4-BROMO-2,6-DIMETHYL-N-ACETYLANILINE
EINECS
CAS No. 119416-26-1
Article Data6
CAS DataBase
Density 1.413 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₂BrNO
Boiling Point 331.1 °C at 760 mmHg
Molecular Weight 242.115
Flash Point 154.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2',6'-Acetoxylidide,4'-bromo- (6CI);
PSA 29.10000
LogP 3.09730

4-Bromo-2,6-dimethyl-N-acetylaniline Specification

The 4-Bromo-2,6-dimethyl-N-acetylaniline is an organic compound with the formula C₁₀H₁₂BrNO. The systematic name of this chemical is N-(4-bromo-2,6-dimethylphenyl)acetamide. With the CAS registry number 119416-26-1, it is also named as acetamide, N-(4-bromo-2,6-dimethylphenyl)-. In addition, the molecular weight is 242.11.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 20.31 Å²; (7)Index of Refraction: 1.59; (8)Molar Refractivity: 57.86 cm³; (9)Molar Volume: 171.2 cm³; (10)Polarizability: 22.93×10^-24 cm³; (11)Surface Tension: 42.3 dyne/cm; (12)Density: 1.413 g/cm³; (13)Flash Point: 154.1 °C; (14)Enthalpy of Vaporization: 57.38 kJ/mol; (15)Boiling Point: 331.1 °C at 760 mmHg; (16)Vapour Pressure: 0.000159 mmHg at 25°C.

Preparation of 4-Bromo-2,6-dimethyl-N-acetylaniline: It can be obtained by acetic acid-(2,6-dimethyl-anilide). This reaction needs reagents aq. KBr, sodium tungstate, sodium perborate, Ac₂O, H₂SO₄ and solvent acetic acid at ambient temperature. The reaction time is 1 hours. The yield is 47%.

People can use the following data to convert to the molecule structure.
1. SMILES:Brc1cc(c(NC(=O)C)c(c1)C)C
2. InChI:InChI=1/C10H12BrNO/c1-6-4-9(11)5-7(2)10(6)12-8(3)13/h4-5H,1-3H3,(H,12,13)
3. InChIKey:YDYWLULGRRSFLV-UHFFFAOYAR

Product Name

4-BROMO-2,6-DIMETHYL-N-ACETYLANILINE

4-Bromo-2,6-dimethyl-N-acetylaniline Specification

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