chlorobacteric acid

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:115-28-6

mdl number:mfcd00167589

einecs number:204-078-9

rtecs number:rb9000000

brn number:none

pubchem number:24865759

physical property data

1. characteristics: white, fine, easy-flowing crystals

2. density (g/ml, 25℃): undetermined

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

4. melting point (ºc): 239- 242

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

6. boiling point (ºc,kpa)：undetermined

7. refractive index （n20/d）：undetermined

8. flashpoint (ºc): undetermined

9. specific optical rotation (ºc): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (mmhg,38ºc): undetermined

12. saturated vapor pressure (kpa, ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

<sethological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 71.36

2. molar volume (m³/mol）：193.7

3. isotonic specific volume (90.2k):574.2

4. surface tension (dyne/cm):77.2

5. polarizability（10^-24cm³):28.29

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 2

5. number of tautomers: none

6. topological molecule polar surface area 74.6

7. number of heavy atoms: 19

8. surface charge: 0

9. complexity: 487

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 4

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

fire-resistant polymeric ester resin, dye intermediates, pesticides .

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compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 2

5. number of tautomers: none

6. topological molecule polar surface area 74.6

7. number of heavy atoms: 19

8. surface charge: 0

9. complexity: 487

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 4

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

fire-resistant polymeric ester resin, dye intermediates, pesticides .