4,4′-Biphenyl Dicarboxaldehyde 4,4′-Biphenyl Dicarboxaldehyde

Structural formula

Business number	01ED
Molecular formula	C14H10O2
Molecular weight	210.23
label	None

• 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:66-98-8

MDL number:None

EINECS number:None

RTECS number:DV2800200

BRN number:None

PubChem ID:None

Physical property data

1. Character: Unsure

2. Density (g/mL,25/4℃): Unsure

3. Relative vapor density (g/mL,Air=1): Unsure

4. Melting point (ºC): 148

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

6. Boiling point (ºC, 5.2kPa): Unsure

7. Refractive index:Not sure

8. Flashpoint (ºC): Unsure

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%,V/V): Unsure

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

19. Solubility:Not sure

Toxicological data

Acute toxicity: Mouse route unknownLD50: 1500 mg/kg;

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 64.35

2. Molar volume (m³/mol):178.0

3. isotonic specific volume (90.2K):470.7

4. Surface Tension (dyne/cm):48.8

5. Polarizability（10^-24cm³):25.51

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 34.1

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 207

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

0pt 72.75pt; mso-list: l0 level2 lfo1; tab-stops: list 36.0pt; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto” class=MsoNormal align=left>3. Isotonic specific volume (90.2 K):470.7

4. Surface Tension (dyne/cm):48.8

5. Polarizability（10^-24cm³):25.51

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 34.1

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 207

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