News

1,4-Bis(trichloromethyl)benzene

1,4-bis(trichloromethyl)benzene structural formula

Structural formula

Business number 01FC
Molecular formula C8H4Cl6
Molecular weight 312.84
label

1,4-Bis(trichloromethyl)benzene,

α,α,α,α’,α’,α’-hexachloro-p-xylene,

For hexachlorobenzyl,

Hexachloroparaxylene,

1,4-bistrichlorotoluene,

Α,Α,Α,Α’,Α’,Α’-hexachloro-p-xylene,

antischistosomiasis drugs

Numbering system

CAS number:68-36-0

MDL number:MFCD00000791

EINECS number:200-686-3

RTECS number:ZE4655000

BRN number:None

PubChem ID:None

Physical property data

1. Properties: White needle-like crystals or crystalline powder, with a special odor and tasteless. It will slowly decompose when exposed to light and alkali and become acidic

2. Density (g/mL, 25/4℃): Uncertain

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

4. Melting point (ºC): 106-110

5. Boiling point (ºC, normal pressure): 312

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

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9 . Specific rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25ºC): Uncertain

12. Saturated vapor pressure (kPa, 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain

17. Explosion upper limit (%, V/V): Uncertain

18. Explosion lower limit (%, V/V): Uncertain

19. Solubility : Insoluble in water, easily soluble in ethanol, xylene, petroleum ether and vegetable oil, etc.

Toxicological data

Acute toxicity: Rat oral LD50: 3200 mg/kg; Breeding: Rat oral TDLo: 2330 mg/kgSEX/DURATION: male 26 week(s) pre-mating; Rat oral TDLo: 2330 mg/kgSEX/ DURATION: female 26 weeks(s) pre-mating;

Ecological data

None

Molecular structure data

1. Molar refractive index: 64.32

2. Molar volume (cm3/mol): 192.0

3.   Isotonic volume (90.2K): 495.2

4. Surface tension (dyne/cm): 44.2

5. Polarizability (10-24cm3): 25.50

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: 0

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 161

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

None

Storage method

Store in an airtight container away from light.

Synthesis method

Using mixed xylene as raw material, it is first sulfonated with 98% sulfuric acid to generate m-xylene sulfonate. The oil layer containing o- and p-xylene is separated from the sulfonation reaction product, washed with water, dried, and o- and p-xylene is distilled under reduced pressure. The by-product m-xylene can be obtained by hydrolysis of m-xylene sulfonate. 1,4-bis(trichloromethyl)benzene is obtained by chlorination of o- and p-xylene: put o- and p-xylene into the reaction pot, and then add benzoyl peroxide and triethanolamine. After heating to 70°C, introduce chlorine gas under light irradiation, react at 70-80°C for 6 hours, and then raise the temperature to 100-120°C to continue the reaction until the relative density of the reaction solution reaches 1.560-1.580 (65°C), which is the end point of the reaction. Stop passing chlorine and remove residual chlorine under reduced pressure. Cool to 5°C, filter, wash to obtain crude product, recrystallize, and decolorize with activated carbon to obtain finished product.

Purpose

Anti-schistosomiasis drugs. It has certain effects on liver fluke disease, amoebiasis, malaria and intestinal nematodes. However, adverse reactions to the nervous system are more common, and delayed reactions last longer.

extended-reading:https://www.newtopchem.com/archives/1021
extended-reading:https://www.bdmaee.net/nt-cat-a-233-catalyst-cas1372-33-9-newtopchem/
extended-reading:https://www.newtopchem.com/archives/category/products/page/55
extended-reading:https://www.bdmaee.net/dimethyltin-dichloride/
extended-reading:https://www.newtopchem.com/archives/category/products/page/101
extended-reading:https://www.newtopchem.com/archives/44762
extended-reading:https://www.newtopchem.com/archives/44671
extended-reading:https://www.cyclohexylamine.net/n-methyl-methylcyclohexylamine/
extended-reading:https://www.morpholine.org/category/morpholine/page/5404/
extended-reading:https://www.cyclohexylamine.net/polyurethane-tertiary-amine-catalyst-dabco-2039-catalyst/

Prev:
Next: