4-Phenoxybenzaldehyde 4-Phenoxybenzaldehyde

Structural formula

Business number	01EK
Molecular formula	C13H10O2
Molecular weight	198.23
label	p-phenoxybenzaldehyde

• 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

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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