2,4,6-Trichlorobenzonitrile

Basic Information

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CAS Number

6575-05-9

Molecular Formula

C7H2Cl3N

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

77.0 to 80.0 deg-C

Boiling Point

303.1℃ at 760 mmHg

Density

1.5400

Flash Point

136.4 °C

Refractive Index

1.601

SMILES

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C1=C(C=C(C(=C1Cl)C#N)Cl)Cl

InChI

InChI=1S/C7H2Cl3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H

InChIKey

PGODHCIOIPODFE-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

173

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

6575-05-9
CS-W015302
FT-0636184
2,4,6-Trichlorobenzonitrile
Benzonitrile, 2,4,6-trichloro-
AKOS015850362
AC-4103
DS-18144
MFCD00052711
SCHEMBL952362
PGODHCIOIPODFE-UHFFFAOYSA-
C7H2Cl3N
InChI=1/C7H2Cl3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H
T1233
DTXSID60334873
A1761
AM62066
SY022604
2,4,6-trichlorobenzenecarbonitrile
2,4,6-trichloro-benzonitrile
2.4.6-Trichlor-benzonitril
PGODHCIOIPODFE-UHFFFAOYSA-N
PubChem4822
SBB055316
TF10153
TRA0028988
FCH1321604
CM13148
AS01707
VZ22386
ZB008727

MDL Number

MFCD00052711

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 2,4,6-Trichlorobenzonitrile (CAS: 6575-05-9)?

2,4,6-Trichlorobenzonitrile is a crystalline solid with a molecular weight of approximately 228.02 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. It exhibits limited reactivity but can undergo electrophilic substitution reactions. Its physical properties include a melting point of 76-78°C and a boiling point of 255-257°C. It is known for its low solubility and stability under normal conditions.

How is 2,4,6-Trichlorobenzonitrile (CAS: 6575-05-9) typically synthesized?

2,4,6-Trichlorobenzonitrile is typically synthesized through a two-step process. In the first step, chlorobenzene is nitrated using concentrated nitric acid and sulfuric acid to form 2,4,6-trinitrotoluene. This intermediate is then reduced using zinc dust and hydrochloric acid to form the final product. This method ensures high selectivity and yield, with the use of appropriate catalysts and solvents.

What industries use 2,4,6-Trichlorobenzonitrile (CAS: 6575-05-9)?

2,4,6-Trichlorobenzonitrile is used in various industries including pharmaceuticals for the synthesis of certain drugs, polymers for special applications requiring specific chemical properties, sensors for detecting specific chemicals, and semiconductors for specific dopants. Its unique chemical structure makes it a valuable reagent in these fields.

What precautions should be taken when handling 2,4,6-Trichlorobenzonitrile (CAS: 6575-05-9)?

When handling 2,4,6-Trichlorobenzonitrile, it is important to use personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. Work must be conducted in a fume hood to minimize exposure. Spills should be contained and cleaned up using appropriate absorbent materials. For detailed safety information, refer to the Safety Data Sheet (SDS).