3-chlorofluorobenzene structural formula

3-chlorofluorobenzene structural formula

Structural formula

Business number 06SN
Molecular formula C6H4ClF
Molecular weight 130.55









Numbering system

CAS number:625-98-9

MDL number:MFCD00000569

EINECS number:210-919-0

RTECS number:None

BRN number:2039303

PubChem number:24849975

Physical property data

1. Properties: colorless liquid.

2. Density (g/mL, 25/4℃): 1.221

3. Gas phase standard entropy (J·mol-1·K-1): 338.1

4. Gas phase standard hot melt (J·mol-1·K-1): 110.17

5. Boiling point (ºC, normal pressure): 127.6

6. Refractive index at room temperature (n20): 1.4950

7. Refractive index: 1.494

8. Flash point (ºC): 20

9. Refractive index at room temperature (n25): 1.491127

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. 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: Insoluble in water , soluble in alcohol, ether, benzene, etc.

Toxicological data

None yet

Ecological data

Do not allow large quantities of products that are slightly harmful to water to come into contact with groundwater, waterways or sewage systems. Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 31.14

2. Molar volume (cm3/mol): 105.5

3. Isotonic specific volume (90.2K ): 250.2

4. Surface tension (dyne/cm): 31.5

5. Polarizability (10-24cm3): 12.34

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

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 0

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 74.9

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 oxidizing agents.

Storage method

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

Synthesis method

None yet


Medicine, pesticide, and liquid crystal material intermediates.


BDMAEE:Bis (2-Dimethylaminoethyl) Ether

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