Product Name

  • Name

    4-(2-PHENYLETH-1-YNYL)BENZALDEHYDE

  • EINECS
  • CAS No. 57341-98-7
  • Article Data165
  • CAS DataBase
  • Density 1.14g/cm3
  • Solubility
  • Melting Point
  • Formula C15H10O
  • Boiling Point 364.2 °C at 760 mmHg
  • Molecular Weight 206.244
  • Flash Point 159.8 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 57341-98-7 (4-(2-PHENYLETH-1-YNYL)BENZALDEHYDE)
  • Hazard Symbols IrritantXi
  • Synonyms Benzaldehyde,4-(phenylethynyl)- (9CI);Benzaldehyde, p-phenylethynyl- (6CI);4-(2-Phenylethynyl)benzaldehyde;4-(Phenylacetylenyl)benzaldehyde;4-(Phenylethynyl)benzaldehyde;p-(Phenylethynyl)benzaldehyde;
  • PSA 17.07000
  • LogP 2.89890

4-(Phenylethynyl)benzaldehyde Specification

The CAS register number of 4-(Phenylethynyl)benzaldehyde is 57341-98-7. It also can be called as Benzaldehyde,4-(2-phenylethynyl)- and the IUPAC name about this chemical is 4-(2-phenylethynyl)benzaldehyde. The molecular formula about this chemical is C15H10O and the molecular weight is 206.24. It belongs to the following product categories which include Aldehydes; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het and so on.

Physical properties about 4-(Phenylethynyl)benzaldehyde are: (1)ACD/LogP: 4.20; (2)ACD/LogD (pH 5.5): 4.2; (3)ACD/LogD (pH 7.4): 4.2; (4)ACD/BCF (pH 5.5): 918.91; (5)ACD/BCF (pH 7.4): 918.91; (6)ACD/KOC (pH 5.5): 4599.51; (7)ACD/KOC (pH 7.4): 4599.51; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07Å2; (11)Index of Refraction: 1.626; (12)Molar Refractivity: 63.7 cm3; (13)Molar Volume: 179.7 cm3; (14)Polarizability: 25.25x10-24cm3; (15)Surface Tension: 51.7 dyne/cm; (16) Enthalpy of Vaporization: 61.04 kJ/mol; (17)Boiling Point: 364.2 °C at 760 mmHg; (18)Vapour Pressure: 1.71E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2ccc(C#Cc1ccccc1)cc2
(2)InChI: InChI=1/C15H10O/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-12H
(3)InChIKey: SYCFYQFCFHKYPI-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C15H10O/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-12H
(5)Std. InChIKey: SYCFYQFCFHKYPI-UHFFFAOYSA-N

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