3,5-Bis(trichloromethyl)benzoic acid

Structural formula

Business number	07FP
Molecular formula	C9H4F6O2
Molecular weight	258.12
label	3,5-Bistrifluoromethylbenzoic acid, 3,5-bis(trifluoromethyl)benzoic acid, 3,5-Di(Trifluoromethyl)Benzoic Acid, Bis(3,5-Trifluoromethyl)Benzoic Acid, (CF3)2C6H3CO2H, aromatic compounds

• 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:725-89-3

MDL number:MFCD00000388

EINECS number:211-970-1

RTECS number:DG4448020

BRN number:2058600

PubChem number:24853936

Physical property data

1. Characteristics: white fibrous solid

2. Density (g/mL,25/4℃):1.42

3. Relative vapor density ( g/mL,AIR =1): Undetermined

4. Melting point (ºC):140 -144

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive index: undetermined

8. Flashpoint (ºC): Undetermined

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 partition coefficient (water): undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Undetermined

Toxicological data

Acute toxicity: miceceliacLD50：100mg/ kg

Ecological data

Slightly hazardous to water. Do not allow undiluted or large quantities of product to come into contact with groundwater, waterways or sewage systems. Do not discharge material into the surrounding environment without government permission

Molecular structure data

1. Molar refractive index: 43.14

2. Molar volume（ m³/mol )：168.9

3. isotonic ratio（90.2K）：383.8

4. Surface Tension(dyne/cm)：26.6

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³）：

7. Polarizability: 17.10

Compute chemical data

1. Hydrophobic parameters Calculate reference value (XlogP）：3.8

2. Hydrogen Bonding Number of donors: 1

3. Hydrogen Bonding Number of receptors: 8

4. Rotatable Number of chemical bonds: 1

5. Topological molecular polarity Surface area (TPSA): 37.3

6. Heavy atoms Quantity: 17

7. Surface charge ：0

8. Complexity ：273

9. Isotope atomic number:0

10. Determine the number of atomic stereocenters:0

11. Uncertain number of stereocenters:0

12. Determine the number of stereocenters of chemical bonds:0

13. Uncertain number of chemical bond stereocenters:0

14. Number of covalent bond units: 1

Properties and stability

Stable under normal temperature and pressure, avoid contact with oxides

Storage method

Keep container tightly sealed Take it out of the container and store it in a cool, dry place

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com