1-Chloro-2,3,3-trifluorocyclobutene

Structural formula

Business number	07AA
Molecular formula	C4H2ClF3
Molecular weight	142.51
label	Alicyclic 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:694-62-2

MDL number:MFCD00041524

EINECS number:None

RTECS number:None

BRN number:2243404

PubChem ID:None

Physical property data

1. Characteristics: colorless liquid.

2. Density (g/mL,25/4℃): 1.355

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

4. Melting point (ºC): 51-52

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

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

7. Refractive index: 1.365

8. Flashpoint (ºC): -15

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/Logarial value of the partition coefficient of water: undetermined

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

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

19. Solubility: Miscible with water.

Toxicological data

None

Ecological data

Usually not harmful to water, Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 23.16

2. Molar volume（m³/ mol）：96.8

3. Isotonic specific volume（90.2K）： 203.3

4. Surface Tension（dyne/cm）：19.4

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³)：

7. Polarizability: 9.18

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.7

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: None

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 149

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

Keep away from oxides and sources of fire.

Storage method

Store in an airtight container and place Store in a cool, dry place. Store away from oxidizing agents.

Synthesis method

None

Purpose

None

Resource:allhdi.com