3,5-Dimethylpyrazole 3,5-Dimethylpyrazole
Structural formula
| Business number | 01ER |
|---|---|
| Molecular formula | C5H8N2 |
| Molecular weight | 96.13 |
| label |
None |
Numbering system
CAS number:67-51-6
MDL number:MFCD00005243
EINECS number:200-657-5
RTECS number:UQ6477600
BRN number:106325
PubChem number:24865998
Physical property data
1. Character: white crystal .
2. Density (g/mL,25/4 ℃):0.884
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC): 107.5～108.5
5. Boiling point (ºC,Normal pressure): 218
6. Boiling point (ºC,5.2kPa): Not OK
7. Refractive index: not OK
8. Flashpoint (ºC): 210
9. Specific optical rotation ( º): Undetermined
10. Spontaneous ignition point or ignition Combustion temperature (ºC) : Undetermined
11. Vapor pressure (kPa,25ºC): Not OK
12. Saturation vapor pressure ( kPa,60ºC): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: able Evaporates with water vapor. Easily soluble in ethanol, ether, chloroform and methanol, and soluble in water.
Toxicological data
Acute toxicity: Rat oral administration LD: >500 mg/kg; mouse oral administration LD50: 1060 mg/kg; Mouse abdominal cavityLD50: 570 mg/kg;
Ecological data
None yet
Molecular structure data
1. Molar refractive index:28.42
2. Molar volume (m3/mol）：93.5
3. isotonic specific volume (90.2K):236.3
4. Surface Tension (dyne/cm):40.7
5. Polarizability（10-24cm3):11.26
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 28.7
7. Number of heavy atoms: 7
8. Surface charge: 0
9. Complexity: 63.1
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
This product should be sealed and stored in a cool, dry place away from light.
Synthesis method
None yet
Purpose
Used in organic synthesis.
o-ascii-font-family: Arial; mso-hansi-font-family: Arial; mso-bidi-font-family: Arial”>Isotonic specific volume (90.2K):236.3
4. Surface Tension (dyne/cm):40.7
5. Polarizability（10-24cm3):11.26
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 28.7
7. Number of heavy atoms: 7
8. Surface charge: 0
9. Complexity: 63.1
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
This product should be sealed and stored in a cool, dry place away from light.
Synthesis method
None yet
Purpose
Used in organic synthesis.