4-chlorothioanisole 4-chlorothioanisole

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:123-09-1

mdl number:mfcd00013643

einecs number:204-600-5

rtecs number:wq3840000

brn number:none

pubchem number:24878958

physical property data

1. boiling point: 168-169℃
2. melting point: 167-169℃

toxicological data

1, skin/eye irritation: rabbit eyesstandard dreze eye dye test：100mg may cause slight irritation to eyes.

2, acute toxicity: rat oral ld50: 400mg/kg

rat skinldl0：5630mg/kg

mouse oralld5o：672mg/kg

3, other multiple dose toxicity: rat oral tdlo: 1050mg/kg/28d-c

rat oral tdlo: 3413mg/kg/91d-c

mouse oral tdlo: 27300mg/kg/91d-c

mouse oral tdlo: 15120mg/kg/28d-c

monkey oral administration tdlo: 280mg/kg/14d-c

ecological data

none yet

molecular structure data

5. molecular property data:

1, molar refractive index:44.21

2, molar volume (m³/mol):131.4

3, isotonic ratio (90.2k): 333.1

4, surface tension (dyne/cm): 41.2

5、 polarizability (10^-24cm³):17.52

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 3.1

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 25.3

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 77

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. uncertain chemical bond stereocenter: arial; mso-font-kerning: 0pt; mso-ascii-font-family: arial; mso-hansi-font-family: arial”>molar volume (m³/mol): 131.4

3, isotonic ratio (90.2k): 333.1

4, surface tension (dyne/cm): 41.2

5、 polarizability (10^-24cm³):17.52

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 3.1

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 25.3

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 77

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

1. properties: this product is colorless liquid.

storage method

none yet

synthesis method

none yet

purpose

none yet

��quantity: 0

15. number of covalent bond units: 1

properties and stability

1. properties: this product is colorless liquid.

storage method

none yet

synthesis method

none yet

purpose

none yet