All Photos(3)

296104

Sigma-Aldrich

1,2,4-Trichlorobenzene

anhydrous, ≥99%

Synonym(s):
1,2,4-TCB
Empirical Formula (Hill Notation):
C6H3Cl3
CAS Number:
Molecular Weight:
181.45
Beilstein:
956819
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21

Quality Level

grade

anhydrous

vapor density

>6 (vs air)

vapor pressure

1 mmHg ( 40 °C)

assay

≥99%

form

solid or liquid

autoignition temp.

1060 °F

expl. lim.

6.6 %, 150 °F

impurities

<0.002% water
<0.005% water (100 mL pkg)

refractive index

n20/D 1.571 (lit.)

bp

214 °C (lit.)

mp

16 °C (lit.)

solubility

water: insoluble

density

1.454 g/mL at 25 °C (lit.)

SMILES string

Clc1ccc(Cl)c(Cl)c1

InChI

1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H

InChI key

PBKONEOXTCPAFI-UHFFFAOYSA-N

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General description

1,2,4-Trichlorobenzene is a highly chlorinated aromatic solvent. It is mainly used as intermediate in dyes, pesticides and also as a lubricant.

Application

1,2,4-Trichlorobenzene may be used as a solvent to prepare:
  • dimethylketene β-lactone dimer from tetramethyl-1,3-cyclobutanedione
  • salicyl-o-toluide by the reaction of phenyl salicylate and o-toluidine

Packaging

1, 2 L in Sure/Seal™
100 mL in Sure/Seal™

Pictograms

Exclamation markEnvironment

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Skin Irrit. 2

Storage Class Code

6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113.0 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Certificate of Analysis

Certificate of Origin

Dimethylketene ?-lactone dimer
Robert H, et al.
Organic Syntheses, 48, 72-72 (1968)
Salicyl-o-toluide
Allen CFH and VanAllan J
Organic Syntheses, 26, 92-92 (1946)
Biomineralisation of 1,2,4-trichlorobenzene in soils by an adapted microbial population.
Schroll R, et al.
Environmental Pollution (Barking, Essex : 1987), 127(3), 395-401 (2004)
Synthesis and characterization of several Ni/NiAl2O4 catalysts active for the 1, 2, 4-trichlorobenzene hydrodechlorination.
Cesteros Y, et al.
Applied Catalysis. B, Environmental, 25(4), 213-227 (2000)
The effect of trichlorobenzene solvent geometry on the morphologies of C60 nano/microcrystals produced from solution.
Liu DD, et al.
Materials Research Bulletin, 73, 65-69 (2016)

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