2-(Thiomorpholino)benzothiazole 2-(Morpholinothio)benzothiazole

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:102-77-2

MDL number:MFCD00022870

EINECS number:203-052-4

RTECS number:DL5950000

BRN number:None

PubChem ID:None

Physical property data

1. Properties: light yellow to brown flaky crystals

2. Relative density (g/mL, 25℃): 1.34-1.40

3. Relative vapor density ( g/mL, air=1): Undetermined

4. Melting point (ºC): 80-90

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, mmHg): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, 20ºC ): 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) partition coefficient: Undetermined Determined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Easily soluble in methylene chloride and acetone, soluble in benzene, carbon tetrachloride, ethyl acetate, ethanol, slightly soluble in gasoline, insoluble in water.

Toxicological data

1. Skin / Eye irritation: Standard Dresser test: rabbit skin contact, 500mg/24HREACTION SEVERITY , slight reaction; Standard Dresser test: Rabbit eye contact, 100mg/:宋体;color:#333333;FONT-SIZE: 9pt”>6. Mutagenicity:DNARepair test: bacteria–E. coli ,10μg/plate;            Mutant microbial test: mouse lymphocytes, 15 mg/L; “>                                                                                 >Morphological transformation test: mouse embryo, 200μg /L;         Mutation assay in mammalian somatic cells: mouse lymphocytes,10mg/L;

Ecological data

Slightly harmful to water bodies.

Molecular structure data

1. Molar refractive index: 70.36

2. Molar volume (cm³/mol): 180.7

3. Isotonic specific volume (90.2K ): 518.7

4. Surface tension (dyne/cm): 67.8

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 27.89

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.7

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 78.9

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 236

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

Easily soluble in methylene chloride, acetone, soluble in benzene, carbon tetrachloride, ethyl acetate, ethanol, slightly soluble in gasoline, insoluble in water. Gradually decomposes when exposed to heat. This product is non-toxic.

Storage method

Should be stored at low temperature. The shelf life is 6 months.

Synthesis method

Add accelerator M into the morpholine aqueous solution, add sodium hypochlorite dropwise at 23-56°C to perform an oxidation reaction to obtain a semi-finished product, and then filter, wash, and dry to obtain the finished product. Raw material consumption (kg/t) accelerator M (97%) 840 morpholine (60%) 700 chlorine (95%) 478 caustic soda (40%) 4251 sulfuric acid (95%) 1170

Purpose

It is used as a post-effect rapid vulcanization accelerator with long scorching time and good operation safety. Easy to disperse, no blooming, slight discoloration, especially suitable for natural rubber and synthetic rubber containing alkaline furnace black. The vulcanized rubber has excellent physical and aging properties. Mainly used in the manufacture of tires, inner tubes, rubber shoes, tapes, backing rubber for retreading tires, etc.

The finished product is then filtered, washed and dried to obtain the finished product. Raw material consumption (kg/t) accelerator M (97%) 840 morpholine (60%) 700 chlorine (95%) 478 caustic soda (40%) 4251 sulfuric acid (95%) 1170

Purpose

It is used as a post-effect rapid vulcanization accelerator with long scorching time and good operation safety. Easy to disperse, no blooming, slight discoloration, especially suitable for natural rubber and synthetic rubber containing alkaline furnace black. The vulcanized rubber has excellent physical and aging properties. Mainly used in the manufacture of tires, inner tubes, rubber shoes, tapes, backing rubber for retreading tires, etc.