Tribromoacetaldehyde Tribromoacetaldehyde

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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. ​​