Tribromoacetic Acid Tribromoacetic Acid

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:75-96-7

MDL number:MFCD00004167

EINECS number:200-919-9

RTECS number:None

BRN number:1755150

PubChem number:24900230

Physical property data

1. Properties: colorless and shiny flaky crystals ^[1]

2. Melting point: 130~133^[2]

3. Boiling point: 245 (decomposition) ^[3]

4. Octanol/water partition coefficient: 1.71^[4]

5. Solubility: soluble in water, ethanol, ether, but insoluble in petroleum ether. ^[5]

Toxicological data

1. Acute toxicity No data available

2. Irritation No data available

Ecological data

1. Ecotoxicity No data available

2. Biodegradability No data available

3 .Non-biodegradability No information available

4. Other harmful effects^[6] This substance is harmful to the environment and should be treated with special Pay attention to water pollution.

Molecular structure data

1. Molar refractive index: 36.04

2. Molar volume (cm³/mol): 95.7

3. Isotonic specific volume (90.2K ): 285.0

4. Surface tension (dyne/cm): 78.4

5. Polarizability (10^-24cm³): 14.28

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.2

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 83.4

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

1. Stability^[7] Stable

2. Incompatible substances^[8] Strong oxidants, strong alkalis

3. Conditions to avoid contact^[9] Light

4. Polymerization hazard^[10] No polymerization

5. Decomposition products^[11] Bromide

Storage method

Storage Precautions^[12] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The packaging is sealed. They should be stored separately from oxidants and alkalis, and avoid mixed storage. Equipped with corresponding products� and quantity of fire fighting equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None

Purpose

Used in organic synthesis. ^[13]