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Propanoic acid,3-(4-chlorophenoxy)-

  • Name Propanoic acid,3-(4-chlorophenoxy)-
  • EINECS221-932-6
  • CAS No. 3284-79-5
  • Density1.311 g/cm3
  • PSA46.53000
  • LogP2.19350
  • SolubilityN/A
  • Melting Point136-140 °C
  • FormulaC9H9ClO3
  • Boiling Point308.3 °C at 760 mmHg
  • Molecular Weight200.622
  • Flash Point140.2 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 3284-79-5 (3-(P-CHLOROPHENOXY)PROPIONIC ACID)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data16

Propanoic acid,3-(4-chlorophenoxy)- Specification

The Propanoic acid,3-(4-chlorophenoxy)-, with the CAS registry number 3284-79-5, is also known as 3-(4-Chlorophenoxy)propionic acid. It belongs to the product categories of C9; Carbonyl Compounds; Carboxylic Acids. Its EINECS registry number is 221-932-6. This chemical's molecular formula is C9H9ClO3 and molecular weight is 200.62. What's more, its IUPAC name and systematic name are the same which is called 3-(4-Chlorophenoxy)propanoic acid. When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin or other mucous membranes.

Physical properties about Propanoic acid,3-(4-chlorophenoxy)-: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.96; (4)ACD/LogD (pH 7.4): -0.8; (5)ACD/BCF (pH 5.5): 1.5; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.11; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 48.65 cm3; (15)Molar Volume: 153 cm3; (16)Surface Tension: 47.2 dyne/cm; (17)Density: 1.311 g/cm3; (18)Flash Point: 140.2 °C; (19)Enthalpy of Vaporization: 57.96 kJ/mol; (20)Boiling Point: 308.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000298 mmHg at 25 °C; (22)Melting point: 136-140 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(OCCC(=O)O)cc1
(2) InChI: InChI=1/C9H9ClO3/c10-7-1-3-8(4-2-7)13-6-5-9(11)12/h1-4H,5-6H2,(H,11,12)
(3) InChIKey: OWHJDUCBLVMRBJ-UHFFFAOYAU

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