Polyether_Polyether Polyol Knowledge 2-(phenoxymethyl)benzoic acid

2-(phenoxymethyl)benzoic acid

2-(phenoxymethyl)benzoic acid structural formula

Structural formula

Business number 07FL
Molecular formula C14H12O3
Molecular weight 228.25
label

2-Phenoxymethylbenzoic acid,

2-(phenoxymethyl)benzoic acid,

2-(phenoxymethyl)benzoic acid,

alpha-Phenoxy-o-toluic Acid,

Doxepin intermediates

Numbering system

CAS number:724-98-1

MDL number:MFCD00020294

EINECS number:211-967-5

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character:Crystalline compound.


2. Density (g/mL,25/4): Undetermined


3. Relative vapor density (g/mL,AIR=1): Undetermined


4. Melting point (ºC):127


5. Boiling point (ºC,Normal pressure): Undetermined


6. Boiling point (ºC,5.2kPa): Undetermined


7. Refractive index: Undetermined


8. Flashpoint (ºC): Undetermined


9. Specific optical rotation (º): Undetermined


10. Autoignition point or ignition temperature (ºC): Undetermined


11. Vapor pressure (kPa,25ºC): Undetermined


12. saturated vaporPressure (kPa,60ºC ): Undetermined


13. Heat of combustion (KJ/mol): Undetermined


14. Critical temperature (ºC): Undetermined


15. Critical pressure (KPa): Undetermined


16. Oil and water (octanol/Log value of partition coefficient (water): undetermined


17.   Explosion limit (%,V/V): Undetermined


18. Lower explosion limit (%,V/V): Undetermined


19. Solubility: Undetermined

Toxicological data

None yet

Ecological data

Slightly hazardous to water. Do not allow undiluted or large quantities of product to come into contact with groundwater, waterways or sewage systems. Do not discharge material into the surrounding environment without government permission

Molecular structure data

1. Molar refractive index:64.34


2. Molar volumem3/mol)186.6


3. Isotonic specific volume90.2K498.2


4. Surface tensiondyne/cm50.7


5. Dielectric constant:


6. Dipole moment(10-24cm3)


7. Polarizability:25.50

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.9

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 46.5

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 246

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Stable under normal temperature and pressure, avoid contact with oxides

Storage method

Keep container tightly sealed Take it out of the container and store it in a cool, dry place

Synthesis method

Use phthalimide with zinc powderSodium hydroxide aqueous solution is reduced to generate phthalide, which reacts with phenol in the presence of sodium methoxide This product is obtained by addition.

Purpose

Intermediate of doxepin.

Resource:allhdi.com

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.polyether-factory.com/archives/21375

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