o-Chlorotrifluorotoluene
Structural formula
| Business number | 01Z4 |
|---|---|
| Molecular formula | C7H4ClF3 |
| Molecular weight | 180 |
| label |
2-Chlorotrifluorotoluene, 1-Chloro-2-(trifluoromethyl)benzene, Pesticide intermediates; aromatic halogen derivatives |
Numbering system
CAS number:88-16-4
MDL number:MFCD00000561
EINECS number:201-805-1
RTECS number:XS9141000
BRN number:510993
PubChem number:24892505
Physical property data
1. Properties: colorless transparent liquid
2. Density (g/mL, 25/4℃): 1.35530
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): -6.4
5. Boiling point (ºC, normal pressure): 152.2
6. Boiling point (ºC, 1.33kpa): 152.1℃
7. Refractive index: 1.4554
8. Flash point (ºC): 44℃
7. p>
9. Refractive index at room temperature (n25): 1.451530
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. The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined
17. The upper explosion limit (%, V/V): Undetermined
18. The lower explosion limit (%, V/V): Undetermined
19. Solubility: Insoluble in water, easily soluble in ethanol and ether
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 36.12
2. Molar volume (cm3/mol): 134.8
3. Isotonic specific volume (90.2K ): 300.3
4. Surface tension (dyne/cm): 24.5
5. Polarizability (10-24cm3): 14.32
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: 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: 11
8. Surface charge: 0
9. Complexity: 132
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
This product may cause combustion hazards when exposed to open flames, high heat, or oxidants, and may emit toxic gases. poisonous. Toxic and irritating if inhaled.
Storage method
This product should be sealed and stored in a cool place.
Packed in galvanized iron barrels, net weight 200kg per barrel, stored in a ventilated, cool place. Keep away from fire and heat sources. Store and transport separately from oxidants and edible raw materials.
Synthesis method
Use o-chlorotoluene as raw material and undergo side chain photochlorination to obtain o-chlorotrichloromethylbenzene; depending on the catalyst used, there are Two methods of fluorination. 1. Antimony pentachloride catalytic fluorination method. 2. Phosphorus trichloride catalytic fluorination method. The raw material consumption for each 1t product produced is: o-chlorotoluene 1100kg, chlorine 2000kg, hydrogen fluoride 520kg.
Purpose
This product is used for the synthesis of fine organic chemical products such as medicines and pesticides. Intermediates of pentafluoridol.
