2,5-dimethylbenzothiazole

Date：2024-05-06 Categories：News

2,5-dimethylbenzothiazole structural formula

structural formula

physical competition number	028w
molecular formula	c9h9ns
molecular weight	163.24
label	2,5-dimethylbenzothiazole, 2,5-dimethyl-benzothiazole

numbering system

cas number:95-26-1

mdl number:mfcd00005796

einecs number:202-404-4

rtecs number:dl3675000

brn number:116455

pubchem number:24846833

physical property data

1. properties: white or brown crystals.

2. density (g/ml, 20℃): undetermined

3. relative vapor density (g/ml, air=1): undetermined

4. melting point (ºc): 36-40

5. boiling point (ºc, normal pressure): undetermined

6. boiling point (ºc, kpa): undetermined

7. refractive index: undetermined

8. flash point (ºc): >110

9. specific rotation (º): undetermined

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. skin/eye irritation

standard draize test: rabbit, skin contact: 20mg/24h, severity of reaction: moderate.

standard draize test: rabbit, eye contact: 20mg/24h, severity of reaction: moderate.

2. acute toxicity: rat oral ld50: 957mg/kg;

ecological data

slightly harmful to water.

molecular structure data

1. molar refractive index: 50.22

2. molar volume (cm³/mol): 138.8

3. isotonic specific volume (90.2k ): 363.7

4. surface tension (dyne/cm): 47.1

5. polarizability (10-24cm3): 19.90

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 3.1

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 41.1

7. number of heavy atoms: 11

8. surface charge: 0

9. complexity: 149

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain atomic stereocenternumber of stereocenters: 0

13. determined number of stereocenters of chemical bonds: 0

14. uncertain number of stereocenters of chemical bonds: 0

15. number of covalent bond units: 1

properties and stability

avoid contact with oxides.

storage method

stored 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