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Ethanone,1-(3-amino-4-chlorophenyl)-

  • Name Ethanone,1-(3-amino-4-chlorophenyl)-
  • EINECSN/A
  • CAS No. 79406-57-8
  • Density1.254 g/cm3
  • PSAN/A
  • LogPN/A
  • SolubilityN/A
  • Melting Point107 °C
  • FormulaC8H8ClNO
  • Boiling Point322.4 °C at 760 mmHg
  • Molecular Weight169.611
  • Flash Point148.8 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 79406-57-8 (1-(3-AMINO-4-CHLOROPHENYL)ETHAN-1-ONE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data12

Ethanone,1-(3-amino-4-chlorophenyl)- Specification

The Ethanone,1-(3-amino-4-chlorophenyl)-, with the CAS registry number 79406-57-8, is also known as Acetophenone,3'-amino-4'-chloro- (7CI). It belongs to the product categories of Phenyls & Phenyl-Het; Phenyls & Phenyl-Het. This chemical's molecular formula is C8H8ClNO and molecular weight is 169.61. What's more, its systematic name is 1-(3-Amino-4-chlorophenyl)ethanone.

Physical properties about Ethanone,1-(3-amino-4-chlorophenyl)-: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 12.68; (6)ACD/BCF (pH 7.4): 12.68; (7)ACD/KOC (pH 5.5): 214.4; (8)ACD/KOC (pH 7.4): 214.42; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 45.41 cm3; (15)Molar Volume: 135.1 cm3; (16)Surface Tension: 47 dyne/cm; (17)Density: 1.254 g/cm3; (18)Flash Point: 148.8 °C; (19)Enthalpy of Vaporization: 56.43 kJ/mol; (20)Boiling Point: 322.4 °C at 760 mmHg; (21)Vapour Pressure: 0.000279 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(C(=O)C)cc1N
(2) InChI: InChI=1/C8H8ClNO/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,10H2,1H3
(3) InChIKey: CELXPDXOZXEXJX-UHFFFAOYAV

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