2-Chlorothiophene 2-Chlorothiophene
Structural formula
| Business number | 02B4 |
|---|---|
| Molecular formula | C4H3ClS |
| Molecular weight | 118.59 |
| label |
2-Thienyl chloride |
Numbering system
CAS number:96-43-5
MDL number:MFCD00005421
EINECS number:202-505-3
RTECS number:XM8575000
BRN number:104652
PubChem number:24849555
Physical property data
1. Properties: Colorless liquid.
2. Density (g/mL, 20℃): 1.285
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): -72
5. Boiling point (ºC, normal pressure): 128-129
6. Boiling point (ºC, kPa): Undetermined
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7. Refractive index: 1.547
8. Flash point (ºC): 22
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, ºC): Undetermined
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) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V) : Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
1. Acute toxicity: Rat oral LD5O: 129-516mg/kg
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 29.53
2. Molar volume (cm3/mol): 90.8
3. Isotonic specific volume (90.2K ): 226.3
4. Surface tension (dyne/cm): 38.4
5. Polarizability (10-24cm3): 11.70
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: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 28.2
7. Number of heavy atoms: 6
8. Surface charge: 0
9. Complexity: 46.8
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
Avoid contact with oxides.
Storage method
Store in a cool place, ventilated warehouse. Keep away from fire, heat sources, anti-static and anti-explosion. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
None
Purpose
None