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