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2-Bromo-N-isopropylacetamide

  • Name 2-Bromo-N-isopropylacetamide
  • EINECSN/A
  • CAS No. 75726-96-4
  • Density1.379 g/cm3
  • PSA29.10000
  • LogP1.29680
  • SolubilityN/A
  • Melting Point63-64℃
  • FormulaC5H10BrNO
  • Boiling Point265.834 °C at 760 mmHg
  • Molecular Weight180.044
  • Flash Point114.573 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 75726-96-4 (2-Bromo-N-isopropylacetamide)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data19

2-Bromo-N-isopropylacetamide Specification

The 2-Bromo-N-isopropylacetamide, with the CAS registry number 75726-96-4, is also known as 2-Bromo-N-(methylethyl)acetamide. This chemical's molecular formula is C5H10BrNO and molecular weight is 180.043. What's more, both its IUPAC name and systematic name are the same which is called 2-Bromo-N-(propan-2-yl)acetamide.

Physical properties about this chemical are: (1)ACD/LogP: 0.53; (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): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 56; (8)ACD/KOC (pH 7.4): 56; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.1 Å2; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 36.528 cm3; (15)Molar Volume: 130.563 cm3; (16)Surface Tension: 33.293 dyne/cm; (17)Density: 1.379 g/cm3; (18)Flash Point: 114.573 °C; (19)Enthalpy of Vaporization: 50.378 kJ/mol; (20)Boiling Point: 265.834 °C at 760 mmHg; (21)Vapour Pressure: 0.009 mmHg at 25 °C.

Preparation of 2-Bromo-N-isopropylacetamide: this chemical can be prepared by Isopropylamine and Bromoacetyl chloride.

2-Bromo-N-isopropylacetamide can be prepared by Isopropylamine and Bromoacetyl chloride.

This reaction needs reagent Et3N and solvent CHCl3 at temperature of -50 - -15 °C. The yield is 44%.

Uses of 2-Bromo-N-isopropylacetamide: it is used to produce other chemicals. For example, it is used to produce C59H91N18O22S3(1+)*HO4S(1-).

2-Bromo-N-isopropylacetamide is used to produce C59H91N18O22S3(1+)*HO4S(1-).

The reaction occurs with reagent aq. H2SO4 and other condition of heating for 10 hours at temperature of 35 °C. The yield is 64%.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)NC(=O)CBr
(2) InChI: InChI=1/C5H10BrNO/c1-4(2)7-5(8)3-6/h4H,3H2,1-2H3,(H,7,8)
(3) InChIKey: ZLDCRYWMEQJDGW-UHFFFAOYAZ

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