4-Isopropylpyridine

Structural formula

Business number	07AW
Molecular formula	C8H11N
Molecular weight	121.18
label	Heterocyclic compounds

• 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:696-30-0

MDL number:MFCD00039719

EINECS number:211-794-5

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Characteristics: colorless and transparent liquid.

2. Density (g/mL,25/4℃): 0.93

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

4. Melting point (ºC): Undetermined

5. Boiling point (ºC,Normal pressure): 178

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive Index: Undetermined

8. Flash Point (ºC): 66

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturated vapor pressure (kPa,60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Logarial value of the partition coefficient of water: undetermined

17. Explosion limit (%,V/V): Undetermined

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

19. Solubility: Undetermined .

Toxicological data

None yet

Ecological data

Usually not harmful to water, Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 38.52

2. Molar volume（m³/ mol）：132.7

3. Isotonic specific volume（90.2K）：316.4

4. Surface Tension（dyne/cm）：32.3

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³)：

7. Polarizability: 15.27

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP):���

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: None

6. Topological molecule polar surface area 12.9

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 72.6

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters :0

12. Uncertain number of stereocenters of atoms: 0

13. Determined number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds Number of structural centers: 0

15. Number of covalent bond units: 1

Properties and stability

Keep away from oxides and sources of fire.

Storage method

Store in an airtight container and place Store in a cool, dry place. Store away from oxidizing agents. Keep away from sources of fire.

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com