structural formula

business number	02a4
molecular formula	c6h7cln2
molecular weight	142.59
label	3-chloro-2,5-dimethyl-1,4-diazine, 3-chloro-2,5-dimethylpiazine, 3-chloro-2,5-dimethylpyrazine, 2,5-dimethyl-3-chloropyrazine

• 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:95-89-6

mdl number:mfcd00006143

einecs number:202-463-6

rtecs number:uq2462000

brn number:none

pubchem number:24892646

physical property data

1. properties: undetermined

2. density (g/ml, 25℃): 1.181

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

4. melting point (ºc): 1.527

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

6. boiling point (ºc, 18mmhg): not determined

7. refractive index: 1.527

8. flash point (ºc): not determined

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) partition coefficient: undetermined

17. explosion upper limit (%, v/v): undetermined

18. lower explosion limit (%, v/v): undetermined

19. solubility: undetermined

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index: 36.98

2. molar volume (cm³/mol): 120.3

3. isotonic specific volume (90.2k ): 306.7

4. surface tension (dyne/cm): 42.1

5. polarizability (10-24cm3): 14.66

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

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 25.8

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 97.1

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 yet

storage method

none yet

synthesis method

none yet

purpose

none yet

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