Tribromoacetaldehyde Tribromoacetaldehyde
Structural formula
| Business number | 037M |
|---|---|
| Molecular formula | C2HBr3O |
| Molecular weight | 280.74 |
| label |
bromoaldehyde, Tribromoacetic anhydride, 2,2,2-Tribromoacetaldehyde, Analytical reagents |
Numbering system
CAS number:115-17-3
MDL number:MFCD00006961
EINECS number:204-067-9
RTECS number:AB3237500
BRN number:1098614
PubChem number:24900226
Physical property data
1. Properties: slightly yellow oily liquid.
2. Density (g/mL, 25℃): 2.665
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC, normal pressure): 147℃ (decomposition)
6. Boiling point (ºC, 1.2KPa): 61
7. Refractive index (n20/D): Not determined
8. Flash point (ºC): Not determined
9. Specific rotation (ºC): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, 38ºC): 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. Explosion lower limit (%, V/V): Undetermined
19. Solubility: soluble in water, ethanol and ether.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 34.66
2. Molar volume (cm3/mol): 98.4
3. Isotonic specific volume (90.2K): 272.1
4. Surface tension (dyne/cm): 58.3
5. Polarizability (10-24cm3): 13.74
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: 1
4. Number of rotatable chemical bonds: 0
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: 54.3
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. UncertaintyNumber of bonded stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Poisonous. Production equipment is required to be airtight, the workshop is well ventilated, and workers are required to wear protective equipment.
Storage method
1. This product should be sealed and stored away from light.
2. Packed in 100mL glass bottles and protected by wooden boxes or cartons. It should be clearly marked with the words “Drug Contains”, and the hazardous regulation number is 84036. It should be stored in a cool, dry and ventilated warehouse. Keep sealed.
Synthesis method
It can be obtained by the reaction of ethanol and bromine; or it can be obtained by the reaction of trichloroacetaldehyde and bromine; it can also be obtained by the reaction of paraldehyde and bromine. 69g of dry paraldehyde was dropped into a mixture of 720g of bromine and 1.5g of sulfur, and the reaction was carried out under self-exotherm. Then heat at 60-80°C for 2 hours, distill the crude product collected by distillation under reduced pressure, and take the 71-74°C (2.4kPa) fraction to obtain 220-240g of the product bromoaldehyde.
Purpose
Used as organic chemical raw materials and analytical reagents.
