2-methyl-5-nitrobenzenesulfonyl chloride 2-methyl-5-nitrobenzenesulfonyl chloride

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:121-02-8

mdl number:mfcd00051695

einecs number:204-444-8

rtecs number:xt8000000

brn number:2697079

pubchem id:none

physical property data

1. melting point (℃):43-45

toxicological data

1, acute toxicity: rat oral ld50：7470mg/kg

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index:51.05

2. molar volume（m³/mol)：154.2

3. isotonic specific volume（90.2k）：417.5

4. surface tension（dyne/cm）：53.7

5. dielectric constant:

6. dipole moment（10^-24cm³） ：

7. polarizability:20.24

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.1

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 88.3

7. number of heavy atoms: 14

8. surface charge: 0

9. complexity: 318

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

storage method

none

synthesis method

none

purpose

none

left; mso-list: l0 level2 lfo1; tab-stops: list 36.0pt; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto” align=left>5. dielectric constant:

6. dipole moment（10^-24cm³） ：

7. polarizability:20.24

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.1

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 88.3

7. number of heavy atoms: 14

8. surface charge: 0

9. complexity: 318

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

storage method

none

synthesis method

none

purpose

none