4-Methyl-3-nitrobenzenesulfonyl chloride
Structural formula
| Business number | 06HQ |
|---|---|
| Molecular formula | C7H6ClNO4S |
| Molecular weight | 235.65 |
| label |
3-nitro-4-methylbenzenesulfonyl chloride, 4-Methyl-3-nitrobenzene-1-sulfonyl chloride |
Numbering system
CAS number:616-83-1
MDL number:MFCD00129811
EINECS number:000-000-0
RTECS number:None
BRN number:2696481
PubChem number:24882520
Physical property data
Physical property data:
1. Melting point (℃): 36
2. Boiling point (ºC,1.5 mmHg):154
3. Packing:5g
Toxicological data
None yet
Ecological data
3. Ecological data:
1. Other harmful effects: This substance may be harmful to the environment and should be harmful to water bodies. Give special attention.
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、 Polarizability (10-24cm3): 20.24
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: 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
Properties and stability:
No decomposition products may occur under normal temperatures and pressures.
Storage method
Storage:
Seal the secret container and store it in a sealed main container in a cool place Dry position.
Synthesis method
None yet
Purpose
None yet