Product Name

  • Name

    2-BROMO-N,N-DIETHYLBENZAMIDE

  • EINECS
  • CAS No. 76041-86-6
  • Article Data14
  • CAS DataBase
  • Density 1.32 g/cm3
  • Solubility
  • Melting Point
  • Formula C11H14BrNO
  • Boiling Point 349.5 °C at 760 mmHg
  • Molecular Weight 256.142
  • Flash Point 165.2 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 76041-86-6 (2-BROMO-N,N-DIETHYLBENZAMIDE)
  • Hazard Symbols IrritantXi
  • Synonyms Benzamide,o-bromo-N,N-diethyl- (5CI);2-Bromo-N,N-diethylbenzamide;N,N-Diethyl-2-bromobenzamide;
  • PSA 20.31000
  • LogP 2.93110

Benzamide,2-bromo-N,N-diethyl- Specification

The Benzamide,2-bromo-N,N-diethyl- is an organic compound with the formula C11H14BrNO. The systematic name of this chemical is 2-bromo-N,N-diethylbenzamide. With the CAS registry number 76041-86-6, it is also named as N,N-Diethyl 2-bromobenzamide. The product's categories are Blocks; Bromides; Carboxes; Aromatics Compounds; Aromatics.

Physical properties about Benzamide,2-bromo-N,N-diethyl- are: (1)ACD/LogP: 1.85; (2)ACD/LogD (pH 5.5): 1.85; (3)ACD/LogD (pH 7.4): 1.85; (4)ACD/BCF (pH 5.5): 14.93; (5)ACD/BCF (pH 7.4): 14.93; (6)ACD/KOC (pH 5.5): 240.94; (7)ACD/KOC (pH 7.4): 240.94; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 20.31 Å2; (11)Index of Refraction: 1.547; (12)Molar Refractivity: 61.59 cm3; (13)Molar Volume: 193.9 cm3; (14)Polarizability: 24.41×10-24cm3; (15)Surface Tension: 40 dyne/cm; (16)Density: 1.32 g/cm3; (17)Flash Point: 165.2 °C; (18)Enthalpy of Vaporization: 59.4 kJ/mol; (19)Boiling Point: 349.5 °C at 760 mmHg; (20)Vapour Pressure: 4.68E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1Br)N(CC)CC
(2)InChI: InChI=1/C11H14BrNO/c1-3-13(4-2)11(14)9-7-5-6-8-10(9)12/h5-8H,3-4H2,1-2H3
(3)InChIKey: BYMBWCOGISFGJL-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C11H14BrNO/c1-3-13(4-2)11(14)9-7-5-6-8-10(9)12/h5-8H,3-4H2,1-2H3
(5)Std. InChIKey: BYMBWCOGISFGJL-UHFFFAOYSA-N

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