Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

4-[3-(3-Chloro-1-oxopropoxy)propoxy]benzoic acid

Related Products

Hot Products

Basic Information Post buying leads Suppliers
Name

4-[3-(3-Chloro-1-oxopropoxy)propoxy]benzoic acid

EINECS N/A
CAS No. 182922-16-3 Density 1.283 g/cm3
PSA 72.83000 LogP 2.32580
Solubility N/A Melting Point N/A
Formula C13H15ClO5 Boiling Point 463.9 °C at 760 mmHg
Molecular Weight 286.712 Flash Point 234.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 182922-16-3 (4-[3-(3-Chloro-1-oxopropoxy)propoxy]benzoic acid) Hazard Symbols N/A
Synonyms

HPBA-3-chloropropionate;

 

4-[3-(3-Chloro-1-oxopropoxy)propoxy]benzoic acid Specification

With the CAS registry number 182922-16-3, the systematic name of 4-[3-(3-Chloro-1-oxopropoxy)propoxy]benzoic acid is 4-{3-[(3-Chloropropanoyl)oxy]propoxy}benzoic acid. In addition, its molecular formula is C13H15ClO5 and its molecular weight is 286.71. 

The other characteristics of 4-[3-(3-Chloro-1-oxopropoxy)propoxy]benzoic acid can be summarized as: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.76; (4)ACD/LogD (pH 7.4): 0.11; (5)ACD/BCF (pH 5.5): 6.99; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 68.52; (8)ACD/KOC (pH 7.4): 1.53; (9)H bond acceptors: 5; (10)H bond donors: 1; (11)Freely Rotating Bonds: 9; (12)Polar Surface Area: 72.83 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 69.64 cm3; (15)Molar Volume: 223.3 cm3; (16)Polarizability: 27.61×10-24cm3; (17)Surface Tension: 48 dyne/cm; (18)Density: 1.283 g/cm3; (19)Flash Point: 234.3 °C; (20)Enthalpy of Vaporization: 76.4 kJ/mol; (21)Boiling Point: 463.9 °C at 760 mmHg; (22)Vapour Pressure: 2.11E-09 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:OC(=O)c1ccc(OCCCOC(=O)CCCl)cc1
(2)InChI:InChI=1/C13H15ClO5/c14-7-6-12(15)19-9-1-8-18-11-4-2-10(3-5-11)13(16)17/h2-5H,1,6-9H2,(H,16,17)
(3)InChIKey:MYIRBRYPWMAEQC-UHFFFAOYAP
(4)Std. InChI:InChI=1S/C13H15ClO5/c14-7-6-12(15)19-9-1-8-18-11-4-2-10(3-5-11)13(16)17/h2-5H,1,6-9H2,(H,16,17)
(5)Std. InChIKey:MYIRBRYPWMAEQC-UHFFFAOYSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 182922-16-3