Structural formula
| Business number | 03DQ |
|---|---|
| Molecular formula | C6H4ClNO4S |
| Molecular weight | 221.62 |
| label |
m-nitrobenzenesulfonyl chloride, 3-nitrobenzenesulfonyl chloride, 3-Nitrophenylsulfonyl chloride, 3-nitro-benzenesulfonylchlorid, 3-Nitrophenylsulfonyl chloride, Benzenesulfonyl chloride, m-nitro-, m-Nitrobenaenesulfonylchloride, m-Nitrobenzenesulfonylchlori, m-Nitrophenylsulfonyl chloride, m-Nitrosulphonyl chloride, aromatic compounds |
Numbering system
CAS number:121-51-7
MDL number:MFCD00007435
EINECS number:204-476-2
RTECS number:None
BRN number:746542
PubChem ID:None
Physical property data
1. Character:Light yellow needle-shaped crystal
2. Melting point (℃):68.5~69
3. Water solubility:Decompose
Toxicological data
None
Ecological data
None
Molecular structure data
5. Molecular property data: 1. Molar refractive index:46.43 2. Molar volume（m3/mol）：137.9 3. Isotonic specific volume（90.2K）：379.2 4. Surface tension（dyne/cm）：57.1 5. Dielectric constant: 6. Dipole moment(10-24cm3) ： 7. Polarizability:18.40
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: 13
8. Surface charge: 0
9. Complexity: 291
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�amily: Arial; mso-hansi-font-family: Arial; mso-bidi-font-family: Arial”>：379.2
4. Surface tension（dyne/cm）：57.1
5. Dielectric constant:
6. Dipole moment(10-24cm3) ：
7. Polarizability:18.40
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: 13
8. Surface charge: 0
9. Complexity: 291
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
1. Basic properties
Light yellow needle-like crystal. Sensitive to moisture. Decomposes on heating. Soluble in ethanol, insoluble in water. Melting point is 68.5~69℃. Corrosive.
Storage method
2. Storage:
Stored sealed in a cool and dry place
Synthesis method
3. Brief description of production methods
It is obtained by chlorosulfonation of nitrobenzene with chlorosulfonic acid. The yield of chlorosulfonation is 80-85%.
Purpose
4. Purpose
A reagent for the determination of aliphatic and aromatic primary and secondary amines. Organic Synthesis.
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1. Basic properties
Light yellow needle-like crystal. Sensitive to moisture. Decomposes on heating. Soluble in ethanol, insoluble in water. Melting point is 68.5~69℃. Corrosive.
Storage method
2. Storage:
Stored sealed in a cool and dry place
Synthesis method
3. Brief description of production methods
It is obtained by chlorosulfonation of nitrobenzene with chlorosulfonic acid. The yield of chlorosulfonation is 80-85%.
Purpose
4. Purpose
A reagent for the determination of aliphatic and aromatic primary and secondary amines. Organic Synthesis.
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