m-Chlorotrifluorotoluene 1-Chloro-3-(trifluoromethyl)benzene
Structural formula
| Business number | 02DG |
|---|---|
| Molecular formula | C7H4ClF3 |
| Molecular weight | 180.55 |
| label |
3-Chlorotrifluorotoluene, 3-(Trifluoromethyl)-1-chlorobenzene, m-chlorotrifluoromethylbenzene, Metachlorobenzyltrifluoride, 3-Chloro-α,α,α-trifluorotoluene, 1-Chloro-3-(trifluoromethyl)-benzene, Halogenated hydrocarbon solvents, aromatic compounds, For dye synthesis |
Numbering system
CAS number:98-15-7
MDL number:MFCD00000594
EINECS number:202-642-9
RTECS number:XS9142000
BRN number:510215
PubChem number:24892507
Physical property data
1. Properties: Colorless and transparent liquid with aromatic odor.
2. Relative density (g/mL, 20/4℃): 1.331
3. Relative vapor density (g/mL, air=1): 6.24
4. Melting point (ºC): -56
5. Boiling point (ºC, normal pressure): 138.1
6. Boiling point (ºC, kPa): Undetermined
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7. Refractive index (20ºC): 1.446
8. Flash point (ºC): 38
9. Specific rotation (º): Undetermined
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10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 20ºC): Not determined
12. Saturated vapor pressure (kPa, 33ºC): 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) distribution coefficient: Undetermined
17. Explosion upper limit (%, V /V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Soluble in some organic solvents.
Toxicological data
Irritating to respiratory system and skin.
Ecological data
This substance is harmful to the environment, and special attention should be paid to the pollution of water bodies.
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. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 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
1. Avoid contact with strong oxidants and humid air. It is flammable and will burn when exposed to high heat or open flame and release toxic gases.
2.This product is toxic. Toxic and irritating if inhaled. Vapors can form explosive mixtures with air. There is a danger of burning when exposed to high heat, open flames, or oxidants.
Storage method
1. Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The storage temperature should not exceed 30℃. The packaging must be sealed and protected from moisture. They should be stored separately from oxidants, food chemicals, etc., and avoid mixed storage. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials. 2. Packed in glass bottles with wooden boxes lined with padding or galvanized iron drums. Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Store and transport separately from oxidants and edible raw materials. Load and unload gently to prevent damage to the packaging.
Synthesis method
Purpose
Used in the manufacture of dyes, pigments, drugs, and pesticides. Solvents, dye intermediates.
