Product Name

  • Name

    2-(4-BROMOANILINO)-1-PHENYL-1-ETHANONE

  • EINECS
  • CAS No. 4831-21-4
  • Article Data9
  • CAS DataBase
  • Density 1.443 g/cm3
  • Solubility
  • Melting Point 158-160 °C
  • Formula C14H12BrNO
  • Boiling Point 438.6 °C at 760 mmHg
  • Molecular Weight 290.159
  • Flash Point 219.1 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 4831-21-4 (2-(4-BROMOANILINO)-1-PHENYL-1-ETHANONE)
  • Hazard Symbols IrritantXi
  • Synonyms Acetophenone,2-(p-bromoanilino)- (7CI,8CI);2-(4-Bromoanilino)-1-phenyl-1-ethanone;
  • PSA 29.10000
  • LogP 3.81690

Ethanone,2-[(4-bromophenyl)amino]-1-phenyl- Specification

The CAS register number of Ethanone,2-[(4-bromophenyl)amino]-1-phenyl- is 4831-21-4. It also can be called as 2-(4-Bromoanilino)-1-phenyl-1-ethanone and the systematic name about this chemical is 2-[(4-bromophenyl)amino]-1-phenylethanone. The molecular formula about this chemical is C14H12BrNO and the molecular weight is 290.15518. This chemical is irritant. It may cause inflammation to the skin or other mucous membranes.

Physical properties about Ethanone,2-[(4-bromophenyl)amino]-1-phenyl- are: (1)ACD/LogP: 3.84; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 20.31 Å2; (6)Index of Refraction: 1.648; (7)Molar Refractivity: 73.15 cm3; (8)Molar Volume: 200.9 cm3; (9)Polarizability: 28.99x10-24cm3; (10)Surface Tension: 51 dyne/cm; (11)Density: 1.443 g/cm3; (12)Flash Point: 219.1 °C; (13)Enthalpy of Vaporization: 69.54 kJ/mol; (14)Boiling Point: 438.6 °C at 760 mmHg; (15)Vapour Pressure: 6.82E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc(NCC(=O)c1ccccc1)cc2
(2)InChI: InChI=1/C14H12BrNO/c15-12-6-8-13(9-7-12)16-10-14(17)11-4-2-1-3-5-11/h1-9,16H,10H2
(3)InChIKey: LPKCHKLRDTZTHS-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C14H12BrNO/c15-12-6-8-13(9-7-12)16-10-14(17)11-4-2-1-3-5-11/h1-9,16H,10H2
(5)Std. InChIKey: LPKCHKLRDTZTHS-UHFFFAOYSA-N

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