2,4,5,6-Tetrachloroisophthalonitrile

Basic Information

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CAS Number

1897-45-6

Molecular Formula

C8Cl4N2

Molecular Weight

265.91 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

251°C

Boiling Point

350°C

Flash Point

2 °C

Refractive Index

1.632

SMILES

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Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl

InChI

InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14

InChIKey

CRQQGFGUEAVUIL-UHFFFAOYSA-N

LogP

4.04356

Complexity

284

Safety Information

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GHS Hazard Pictograms

H317

H318

H330

H335

H351

H410

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H318 Causes serious eye damage
Serious eye damage/eye irritation

H330 Fatal if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

H351 Suspected of causing cancer
Carcinogenicity

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 6.1(a) Class 6.1(a)

Toxicity

LD50 orally in rats: >10.0 g/kg (Turner)

Synonyms & References

English

chlorothalonil
2,4,5,6-TETRACHLOROISOPHTHALONITRILE
2,4-DICYANOTETRACHLOROBENZENE
BOMBARDIER
BRAVO
BRAVO(R)
LORTOCAFFARO
DACONIL
DACONIL 2787(R)
PERCHLOROISOPHTHALONITRILE
REACH
tetrachloroisophthalodinitrile
TETRACHLOROISOPHTHALONITRILE
TPN
1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-
1,3-Dicyano-2,4,5,6-tetrachlorobenzene
1,3-Dicyanotetrachlorobenzene
2,4,5,6-Tetrachloro-1,3-benzenedicarbonitrile
Chlorothalonil solution
2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile
Method 608.1 - Organochlorine Pesticides
Method 608.2 - Organochlorine Pesticides
2,4,5,6-tetrachloro
2,4,5,6-tetrachloro-1,3-dicyanobenzene
2,4,5,6-tetrachloroisophthalodinitrile
Carbon
Chlorothalonil Standard
Chlorothalonil100µg
meta-TCPN
m-Tcpn
Nopcocide

MDL Number

MFCD00045594

Customs Code

2926909090

FAQ

What is 2,4,5,6-Tetrachloroisophthalonitrile (CAS: 1897-45-6)?

2,4,5,6-Tetrachloroisophthalonitrile (CAS: 1897-45-6) is a chlorinated aromatic compound with the chemical formula C8H4Cl4N2O2. It features two nitrile groups attached to an isophthalic acid ring system, substituted with four chlorine atoms at positions 2, 4, 5, and 6. This compound is known for its stability and reactivity in organic synthesis, often used as an intermediate in chemical processes.

What are the main uses of 2,4,5,6-Tetrachloroisophthalonitrile (CAS: 1897-45-6)?

2,4,5,6-Tetrachloroisophthalonitrile (CAS: 1897-45-6) is primarily used in pharmaceuticals as a building block for drug development. It also serves in industrial applications, such as pesticide formulation and dye production. In research, it functions as a versatile chemical intermediate for synthesizing complex organic molecules and functional materials.

Is 2,4,5,6-Tetrachloroisophthalonitrile (CAS: 1897-45-6) safe?

2,4,5,6-Tetrachloroisophthalonitrile (CAS: 1897-45-6) requires careful handling due to its potential toxicity. Inhalation or skin contact may cause irritation, and it is classified as a hazardous substance under safety regulations. Always use personal protective equipment (PPE) and ensure proper ventilation when working with this compound. Adherence to OSHA and EPA guidelines is essential for safe use.

How should 2,4,5,6-Tetrachloroisophthalonitrile (CAS: 1897-45-6) be stored?

2,4,5,6-Tetrachloroisophthalonitrile (CAS: 1897-45-6) should be stored in a cool, dry place away from light. Keep in airtight, inert containers to prevent moisture and air exposure. It is stable under standard storage conditions but must be handled as a hazardous material to avoid degradation. Ensure proper labeling and storage in a well-ventilated area.