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