o-cresolthiophenol

structural formula

• 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: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