4-phenoxybenzaldehyde 4-phenoxybenzaldehyde
structural formula
| business number | 01ek |
|---|---|
| molecular formula | c13h10o2 |
| molecular weight | 198.23 |
| label |
p-phenoxybenzaldehyde |
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
