Structural formula
| Physical competition number | 028U |
|---|---|
| Molecular formula | C7H5ClN2S |
| Molecular weight | 184.65 |
| label |
6-chloro-2-benzothiazolamin, 2-amino-6-chloro-benzothiazole, 6-Chloro-1,3-benzothiazol-2-amine |
Numbering system
CAS number:95-24-9
MDL number:MFCD00053557
EINECS number:202-402-3
RTECS number:DL1575000
BRN number:None
PubChem number:24848253
Physical property data
1. Properties: white powder.
2. Density (g/mL, 20?): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 199-201
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, KPa): Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined
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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. Log value of oil-water (octanol/water) distribution coefficient: Undetermined
17. Explosion upper limit (%, V /V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
1. Acute toxicity: Oral LD50 in mice: 398mg/kg; Intravenous LD50 in mice: 76mg/kg;
Ecological data
Slightly harmful to water.
Molecular structure data
1. Molar refractive index: 49.70
2. Molar volume (cm3/mol): 120.4
3. Isotonic specific volume (90.2K ): 350.1
4. Surface tension (dyne/cm): 71.3
5. Polarizability (10-24cm3): 19.70
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 2
6. Topological molecule polar surface area 67.2
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 155
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. TotalNumber of key units: 1
Properties and stability
Avoid contact with oxides.
Storage method
Store sealed in a cool, dry place. Make sure the workspace has good ventilation. Keep sealed. Keep away from sources of fire and store away from oxidizing agents.
Synthesis method
None
Purpose
For the synthesis of disperse dyes.
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