Product Name

  • Name

    Benzaldehyde, 3-fluoro-5-methoxy- (9CI)

  • EINECS
  • CAS No. 699016-24-5
  • Article Data5
  • CAS DataBase
  • Density 1.192 g/cm3
  • Solubility
  • Melting Point 24-29℃
  • Formula C8H7FO2
  • Boiling Point 216.065 °C at 760 mmHg
  • Molecular Weight 154.1383832
  • Flash Point 82.299 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 699016-24-5 (Benzaldehyde, 3-fluoro-5-methoxy- (9CI))
  • Hazard Symbols IrritantXi
  • Synonyms Benzaldehyde, 3-fluoro-5-methoxy- (9CI);3-Fluoro-5-methoxybenzaldehyde 97%;3-Fluoro-5-methoxybenzaldehyde97%;5-Fluoro-3-methoxybenzaldehyde;Benzaldehyde, 3-fluoro-5-Methoxy-;5-Fluoro-m-anisaldehyde, 3-Fluoro-5-formylanisole
  • PSA 26.30000
  • LogP 1.64680

Benzaldehyde,3-fluoro-5-methoxy-(9CI) Specification

The CAS registry number of Benzaldehyde,3-fluoro-5-methoxy-(9CI) is 699016-24-5. It belongs to the product categories of Halide; Aldehyde. This chemical's molecular formula is C8H7FO2 and molecular weight is 154.1383832. What's more, its systematic name is called 3-Fluoro-5-methoxybenzaldehyde. In addition, this chemical is irritanting and may cause inflammation to the skin or other mucous membranes. This chemical should be stored under nitrogen.

Physical properties about Benzaldehyde,3-fluoro-5-methoxy-(9CI) are: (1)ACD/LogP: 1.60; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 18; (6)ACD/BCF (pH 7.4): 18; (7)ACD/KOC (pH 5.5): 273; (8)ACD/KOC (pH 7.4): 273; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 39.678 cm3; (15)Molar Volume: 129.311 cm3; (16)Polarizability: 15.73×10-24 cm3; (17)Surface Tension: 35.719 dyne/cm; (18)Density: 1.192 g/cm3; (19)Flash Point: 82.299 °C; (20)Enthalpy of Vaporization: 45.242 kJ/mol; (21)Boiling Point: 216.065 °C at 760 mmHg; (22)Vapour Pressure: 0.143 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(cc(OC)c1)C=O
(2) InChI: InChI=1/C8H7FO2/c1-11-8-3-6(5-10)2-7(9)4-8/h2-5H,1H3
(3) InChIKey: IBKNUJGSSUDSSJ-UHFFFAOYAK

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