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: widow-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
