Structural formula
| Business number | 039J |
|---|---|
| Molecular formula | C10H9NO9S3 |
| Molecular weight | 383.37 |
| label |
Heterocyclic compounds |
Numbering system
CAS number:118-03-6
MDL number:None
EINECS number:None
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Characteristics: Light yellow trendy product
2. Density (g/mL,20℃） : Undetermined
3. Relative vapor density (g/mL,Air=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC,normal pressure): Undetermined
6. Boiling point (ºC, KPa): Undetermined
7. Refractive index: Undetermined
8. Flashpoint (ºC): Undetermined
9. Specific optical rotation (º): -62
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, ºC): Undetermined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined
17. Explosion limit (%,V/V): Undetermined
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2, Moore Volume (m3/mol):194.1
3、 Isotonic specific volume (90.2K) ：622.9
4, Surface Tension (dyne/cm):105.9
5、 Polarizability (10-24cm3):31.30
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): -0.7
2. Number of hydrogen bond donors: 4
3. Number of hydrogen bond acceptors: 10
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 214
7. Number of heavy atoms: 23
8. Surface charge: 0
9. Complexity: 756
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
Storage method
None
Synthesis method
None
Purpose
Used in the manufacture of azo dyes and 2Racid
-bidi-font-family: 宋体; mso-font-kerning: 0pt; mso-fareast-font-family: Arial”> Polarizability (10-24cm3):31.30
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): -0.7
2. Number of hydrogen bond donors: 4
3. Number of hydrogen bond acceptors: 10
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 214
7. Number of heavy atoms: 23
8. Surface charge: 0
9. Complexity: 756
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
Storage method
None
Synthesis method
None
Purpose
Used in the manufacture of azo dyes and 2Racid
