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
