4-chlorothioanisole 4-chlorothioanisole
structural formula
| business number | 03g5 |
|---|---|
| molecular formula | c7h7cls |
| molecular weight | 158.65 |
| label |
4-chlorophenyl methyl sulfide, clc6h4sch3, aromatic compounds |
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
