4-Amino-3,5-dichlorobenzonitrile

Basic Information

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CAS Number

78473-00-4

Molecular Formula

C7H4Cl2N2

Molecular Weight

187.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

117.0 to 121.0 deg-C

Boiling Point

307.58°C (rough estimate)

Density

1.5159 (rough estimate)

Flash Point

119ºC

Refractive Index

1.6400 (estimate)

SMILES

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

InChI

InChI=1S/C7H4Cl2N2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2H,11H2

InChIKey

COFNCCWGWXFACE-UHFFFAOYSA-N

LogP

3.02848

Complexity

174

Safety Information

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Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

AS-16041
2,6-Dichloro-4-cyanoaniline
EINECS 278-914-6
4-Amino-3,5-dichlorobenzonitrile
AKOS005255283
DTXSID10229109
TD1293
SCHEMBL1752587
Z1203161703
AM20060054
4-Cyano-2,6-dichloroaniline
MFCD00017341
4-Amino-3 pound not5-dichlorobenzonitrile
EN300-126764
SY020511
AC-4478
4-Amino-3,5-dichlorobenzonitrile, 97%
PB21626
CS-W022070
J-514346
4-Amino-3,5-dichlorobenzonitrile #
Benzonitrile, 4-amino-3,5-dichloro-
78473-00-4
NS00037989
BDBM626005
3,5-Dichloro-4-aminobenzonitrile
A9868
4-Amino-3,5-dichloro-benzonitrile
FT-0617479
3,5-dichloro-4-amino-benzonitrile
1-amino-2,6-dichloro-4-cyanobenzene

MDL Number

MFCD00017341

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 4-Amino-3,5-dichlorobenzonitrile (CAS: 78473-00-4)?

4-Amino-3,5-dichlorobenzonitrile (CAS: 78473-00-4) is a white crystalline solid with a molecular weight of 265.02 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can react with strong bases to form amines. Its reactivity is influenced by the presence of the dichlorophenyl and nitrile groups.

How is 4-Amino-3,5-dichlorobenzonitrile (CAS: 78473-00-4) typically synthesized?

4-Amino-3,5-dichlorobenzonitrile is typically synthesized via the reaction of 3,5-dichlorobenzonitrile with ammonia in the presence of a catalyst such as a Lewis acid. The process involves the nucleophilic substitution of the nitrile group by ammonia, leading to the formation of the amino group. The reaction is carried out at elevated temperatures and under pressure to enhance selectivity and yield.

What industries use 4-Amino-3,5-dichlorobenzonitrile (CAS: 78473-00-4)?

4-Amino-3,5-dichlorobenzonitrile (CAS: 78473-00-4) is used in various industries including pharmaceuticals, where it serves as a precursor for the synthesis of certain drugs. It is also utilized in the production of polymers, sensors, and semiconductor materials, due to its specific chemical properties and reactivity.

What precautions should be taken when handling 4-Amino-3,5-dichlorobenzonitrile (CAS: 78473-00-4)?

When handling 4-Amino-3,5-dichlorobenzonitrile (CAS: 78473-00-4), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be handled using appropriate spill response materials, and the area should be thoroughly cleaned. Always refer to the Safety Data Sheet (SDS) for specific handling and storage instructions.