4-Chloro-3-nitrobenzenesulfonyl chloride
Structural formula
| Business number | 02BU |
|---|---|
| Molecular formula | C6H3Cl2NO4S |
| Molecular weight | 256.06 |
| label |
None |
Numbering system
CAS number:97-08-5
MDL number:MFCD00007440
EINECS number:202-558-2
RTECS number:None
BRN number:1978600
PubChem number:24892822
Physical property data
1. Properties: brown or white powder.
2. Density (g/mL, 20℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 59-60
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, kPa): Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined
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10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 20.2ºC): Not determined
12. Saturated vapor Pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) distribution coefficient:
17. Explosion upper limit (%, V/ V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 51.26
2. Molar volume (cm3/mol): 149.8
3. Isotonic specific volume (90.2K ): 416.3
4. Surface tension (dyne/cm): 59.5
5. Polarizability (10-24cm3): 20.32
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 2.3
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:
6. Topological molecular polar surface area (TPSA): 77.3
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 320
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 Number: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Avoid contact with oxides, alkalis, and water.
Storage method
Store in a cool, ventilated warehouse. Keep away from fire, heat sources and oxidants. The packaging is sealed. They should be stored separately from oxidants and alkalis, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.
Synthesis method
None
Purpose
None
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