chlormezanone chlormezanone
structural formula
| business number | 01rj |
|---|---|
| molecular formula | c11h12clno3s |
| molecular weight | 273.74 |
| label |
2-p-chlorophenyl-3-methyl-1,3-hydrothiazinone-[4]-1,1-dioxide |
numbering system
cas number:80-77-3
mdl number:mfcd00143951
einecs number:201-307-4
rtecs number:xj1050000
brn number:none
pubchem id:none
physical property data
1. physical property data
1. appearance: white crystalline powder.
2. density (g/ml,25/4℃): unsure
3. relative vapor density (g/ml,air=1): unsure
4. melting point (ºc):116.2 -118.2℃
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. &n%; text-align: left; mso-pagination: wi-orphan; mso-layout-grid-align: none” align=left>mouse caliberld50：600mg/ kg; mouse abdominal cavity ld50: 322mg/kg;
dog caliber ld50: >400mg/kg;
pig abdominal cavity ld50: 600mg/kg;
2, other multiple dose toxicity data
rat caliber tdl0: 3975 mg/kg/5d-c
ecological data
none yet
molecular structure data
5. molecular property data:
1. molar refractive index: 65.48
2. molar volume (m3/mol）：196.7
3. isotonic specific volume (90.2k):520.7
4. surface tension (dyne/cm):49.1
5. polarizability（10-24cm3):25.95
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 1.1
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 1
5. number of tautomers: 2
6. topological molecule polar surface area 62.8
7. number of heavy atoms: 17
8. surface charge: 0
9. complexity: 395
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 1
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
-size: 9pt; font-family: 宋体; mso-bidi-font-family: arial; mso-ascii-font-family: arial; mso-hansi-font-family: arial”>): 520.7
4. surface tension (dyne/cm):49.1
5. polarizability（10-24cm3):25.95
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 1.1
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 1
5. number of tautomers: 2
6. topological molecule polar surface area 62.8
7. number of heavy atoms: 17
8. surface charge: 0
9. complexity: 395
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 1
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