o-cresolthiophenol
Structural formula
| Business number | 03R8 |
|---|---|
| Molecular formula | C7H8S |
| Molecular weight | 124.20 |
| label |
2-Methylthiophenol, o-Thiocresol, o-Thiocresol, o-mercaptotoluene, 2-Mercaptotoluene, 2-Thiocresol, 2-methylthiophenol, aromatic sulfur compounds |
Numbering system
CAS number:137-06-4
MDL number:MFCD00004838
EINECS number:205-276-8
RTECS number:XT8750000
BRN number:None
PubChem number:24900085
Physical property data
1. Physical properties: light yellow to white oily liquid. The solid ones are leaf-shaped crystals.
2. Melting point: 15℃
3. Boiling point: 194.3℃.
4. Relative density: 1.041
5.Refractive index: 1.5780.
6. Flash point: 63℃.
7. Solubility: soluble in ethanol, easily soluble in ether, insoluble in water. Can evaporate with water vapor. Very smelly.
Toxicological data
Acute toxicity data:
Mouse abdominal LD50: 100mg/kg
Ecological data
None
Molecular structure data
Molecular property data:
1. Molar refractive index: 39.25
2. Molar volume (cm3/mol): 118.3
3. Isotonic specific volume (90.2K): 293.4
4. Surface tension (3.0 dyne/cm): 37.8
5. Polarizability (0.5 10-24cm3): 15.56
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: 3
6. Topological molecule polar surface area 1
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 70.8
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
Production equipment should be sealed and the workshop should have good ventilation. Operators wear protective equipment.
Storage method
Stored tightly in a glass bottle.�Coat iron barrel protection. Store in a cool, dry and ventilated place. Sun protection and moisture-proof. During transportation, load and unload gently to avoid damaging the packaging. Store and transport according to general chemical regulations.
Synthesis method
It is obtained by diazotization, esterification and hydrolysis of o-toluidine.
Purpose
For compositing