structural formula
| business number | 03d6 |
|---|---|
| molecular formula | c7h6clno4s |
| molecular weight | 235.64 |
| label |
4-nitrotoluen-2-sulfochlorid, 4-nitrotoluen-2-sulfonylchlorid, 5-nitro-o-toluenesulfonylchlorid, 2-methyl-5-nitrobenzenesulfonyl chloride, heterocyclic compounds |
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
