(2,4-Dichlorophenyl)acetonitrile

Basic Information

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CAS Number

6306-60-1

Molecular Formula

C8H5Cl2N

Molecular Weight

186.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

58-61 °C

Boiling Point

306.06°C (rough estimate)

Density

1.4274 (rough estimate)

Refractive Index

1.5690 (estimate)

SMILES

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

InChI

InChI=1S/C8H5Cl2N/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3H2

InChIKey

VJARIBGMDPJLCL-UHFFFAOYSA-N

LogP

3.05948

Complexity

172

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

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

Acetonitrile, (2,4-dichlorophenyl)-
DICHLOROPHENYLACETONITRILE, 2,4-
2,4-Dichlorobenzyl cyanide
2,4-dichlorophenyl acetonitrile
A834195
2,4-Dichlorobenzeneacetonitrile
AM10838
AC-23570
EINECS 228-621-4
InChI=1/C8H5Cl2N/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3H2
NSC22988
Tox21_301022
D1792
NSC-22988
AI3-12073
F0001-1712
FT-0610069
STR00977
D9J4C5M11E
Benzeneacetonitrile, 2,4-dichloro-
(2,4-Dichlorophenyl)acetonitrile
MFCD00001899
CHEMBL3183818
6306-60-1
FT-0610052
W-104935
DTXCID4021185
Z104477208
DTXSID6041185
NCGC00254924-01
NCGC00248259-01

MDL Number

MFCD00001899

Customs Code

2926909090

FAQ

What are the physical and chemical properties of (2,4-Dichlorophenyl)acetonitrile (CAS: 6306-60-1)?

(2,4-Dichlorophenyl)acetonitrile is a yellow to orange crystalline solid with a molecular weight of approximately 217.02 g/mol. It has a low solubility in water but is soluble in common organic solvents like ethanol and acetone. Chemically, it is moderately reactive, particularly towards nucleophilic substitution reactions. Its crystalline form allows for effective purification and crystallization techniques.

How is (2,4-Dichlorophenyl)acetonitrile (CAS: 6306-60-1) typically synthesized?

(2,4-Dichlorophenyl)acetonitrile is synthesized by a multistep process starting from 2,4-dichlorophenylacetic acid, which is converted to the acetonitrile derivative using a series of reactions involving acetonitrile and a catalyst such as palladium(II) acetate. The synthesis typically involves nitration and subsequent deacylation steps, yielding a product with high selectivity and good yield.

What industries use (2,4-Dichlorophenyl)acetonitrile (CAS: 6306-60-1)?

(2,4-Dichlorophenyl)acetonitrile is utilized in various industries, particularly in the pharmaceutical sector for the development of certain compounds. It also finds applications in the production of certain dyes and pigments, as well as in the synthesis of materials used in semiconductor and sensor technologies.

What precautions should be taken when handling (2,4-Dichlorophenyl)acetonitrile (CAS: 6306-60-1)?

When handling (2,4-Dichlorophenyl)acetonitrile, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbents. Always consult the Safety Data Sheet (SDS) for detailed information on handling and disposal procedures.