4-phenoxybenzaldehyde 4-phenoxybenzaldehyde

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:67-36-7

mdl number:mfcd00003383

einecs number:200-650-7

rtecs number:cu7560000

brn number:1947841

pubchem number:24887220

physical property data

1. character: uncertain

2. density (g/ml,25/4℃):1.132

3. relative vapor density (g/ml,air=1): unsure

4. melting point (ºc):24 -25

5. boiling point (ºc,normal pressure): uncertain

6. boiling point (ºc, 14mmhg):185

7. refractive index:1.611

8. flash point (ºf): >230

9. specific optical rotation (º): unsure

10. autoignition point or ignition temperature (ºc): unsure

11. vapor pressure (kpa,25ºc): unsure

12. saturated vapor pressure (kpa,60ºc): unsure%,v/v): unsure

18. lower explosion limit (%,v/v): unsure

19. solubility:not sure

toxicological data

acute toxicity: mouse route unknown ld50: 190 mg/kg;

ecological data

none yet

molecular structure data

1. molar refractive index:59.44

2. molar volume (m³/mol）：171.6

3. isotonic specific volume (90.2k):443.4

4. surface tension (dyne/cm):44.5

5. polarizability（10^-24cm³):23.56

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 26.3

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 189

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

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet

; mso-bidi-font-family: arial”>): 443.4

4. surface tension (dyne/cm):44.5

5. polarizability（10^-24cm³):23.56

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 26.3

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 189

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

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet