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