tetrachlorobisphenol a tetrachlorobisphenol a
structural formula
| business number | 01qa |
|---|---|
| molecular formula | c15h12cl4o2 |
| molecular weight | 366.07 |
| label |
none yet |
numbering system
cas number:79-95-8
mdl number:mfcd00002178
einecs number:201-237-4
rtecs number:sl6250000
brn number:none
pubchem id:none
physical property data
1. physical property data
1. character: uncertain.
2. density (g/ml,25/4℃): unsure
3. relative vapor density (g/ml,air=1): unsure
4. melting point (ºc): unsure
5. boiling point (ºc,normal pressure): uncertain
6. boiling point (ºc,5.2kpa): unsure
7. refractive index: uncertain
8. flash point (ºc): unsure
9. specific optical rotation (º): unsure
10. autoignition point or ignition temperature (ºc): unsure
11. vapor pressure (kpa,25ºc): unsure
12. <spanother multiple dose toxicity data
rabbit caliber tdl0: 67500mg/kg/45d-i;
3, neurotoxicity
rabbit skin test: 500mg/24h
ecological data
none yet
molecular structure data
5. molecular property data:
1. molar refractive index: 87.74
2. molar volume (m3/mol）：247.3
3. isotonic specific volume (90.2k):663.2
4. surface tension (dyne/cm):51.6
5. polarizability（10-24cm3):34.78
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 6.5
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 2
5. number of tautomers: 3
6. topological molecule polar surface area 40.5
7. number of heavy atoms: 21
8. surface charge: 0
9. complexity: 310
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
none yet
storage method
none yet
synthesis method
none yet
purpose
none yet
n lang=en-us style=”font-size: 9pt; font-family: arial”>dyne/cm):51.6
5. polarizability（10-24cm3):34.78
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 6.5
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 2
5. number of tautomers: 3
6. topological molecule polar surface area 40.5
7. number of heavy atoms: 21
8. surface charge: 0
9. complexity: 310
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
none yet
storage method
none yet
synthesis method
none yet
purpose
none yet
