Crotonyl chloride
Structural formula
| Business number | 06RX |
|---|---|
| Molecular formula | C4H5ClO |
| Molecular weight | 104.53 |
| label |
2-Butenoyl chloride, trans-2-butenoyl chloride, E)-2-Butenoyl chloride, trans-Crotonyl chloride, CH3CH=CHCOCl |
Numbering system
CAS number:625-35-4
MDL number:MFCD00000734
EINECS number:210-889-9
RTECS number:None
BRN number:506118
PubChem number:24847797
Physical property data
1. Characteristics: gray-yellow liquid.
2. Density (g/mL,25/4℃): 1.091
3. Relative vapor density (g/mL,air=1): Undetermined
4. Melting point (ºC):
5. Boiling point (ºC,Normal pressure): 121-123
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: 1.459
8. Flash point (ºC): 35
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa,60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of water) partition coefficient: Undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Reacts with water.
Toxicological data
None yet
Ecological data
For products that are slightly harmful to water, do not let large amounts of products come into contact with groundwater, waterways or sewage systems. Do not discharge materials into the surrounding environment without government permission.
Molecular structure data
1. Moore refraction Rate: 25.51
2. Molar Volume (cm3/mol):96.6
3. Isotonic specific volume ( 90.2K):222.0
4. Surface Tension (dyne/cm）：27.8
5. Polarization Rate（10-24cm3):10.11
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.6
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 17.1
7. Number of heavy atoms: 6
8. Surface charge: 0
9. Complexity: 75.6
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: 1
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Keep away from oxides, heat, alkali, moisture, reactive metals.
Storage method
Store in a container filled with dry inert gas and placed in a cool, dry place. The storage area must be locked and the keys must be given to the technical experts and their assistants. refrigeration. Avoid moisture and moisture. Keep away from oxidants, water sources, strong alkalis, and heat.
Synthesis method
None yet
Purpose
Intermediate of Youle San.