3,4-Dichlorobenzonitrile

Basic Information

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CAS Number

6574-99-8

Molecular Formula

C7H3Cl2N

Molecular Weight

172.01 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

71.0 to 75.0 deg-C

Boiling Point

235.5°C at 760 mmHg

Density

1.4000

Flash Point

95℃

Refractive Index

1.583

SMILES

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C1=CC(=C(C=C1C#N)Cl)Cl

InChI

InChI=1S/C7H3Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H

InChIKey

KUWBYWUSERRVQP-UHFFFAOYSA-N

LogP

2.86508

Complexity

160

Safety Information

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GHS Hazard Pictograms

H302

H312

H315

H319

H332

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Z55928930
DTXSID90215944
PS-3373
SY013672
EN300-16477
UNII-E3NZ9X3XQZ
D3415
FT-0614232
AKOS001060496
3,4-dichloro benzonitrile
EINECS 229-494-8
MFCD00016379
6574-99-8
E3NZ9X3XQZ
NS00006720
CS-W008272
EC 229-494-8
STR01990
W-104789
A19027
3,4-Dichlorobenzonitrile, 97%
AMY8716
Benzonitrile, 3,4-dichloro-
AC-15864
3,4-Dichlorobenzonitrile
SCHEMBL825866
3,4-Dichlorobenzonitrle
3,4-Dichlor-benzonitril
3,4-dichlorobenzenecarbonitrile
3,4-dichloro-benzonitrile
3,4-dichlorobenzylnitrile

MDL Number

MFCD00016379

Customs Code

2926909090

FAQ

What is 3,4-Dichlorobenzonitrile (CAS: 6574-99-8)?

3,4-Dichlorobenzonitrile (CAS 6574-99-8) is an aromatic organic compound with the molecular formula C6H3Cl2CN. It features a benzene ring substituted with two chlorine atoms and one nitrile group, exhibiting moderate solubility in organic solvents. The compound is known for its chlorinated structure and is commonly used as an intermediate in chemical synthesis.

What are the main uses of 3,4-Dichlorobenzonitrile (CAS: 6574-99-8)?

3,4-Dichlorobenzonitrile (CAS 6574-99-8) is primarily used in pharmaceuticals as an intermediate for drug development. It also serves in industrial applications, including the production of dyes, agrochemicals, and specialty materials. Researchers utilize it for synthesizing derivatives and functional compounds in organic chemistry.

Is 3,4-Dichlorobenzonitrile (CAS: 6574-99-8) safe?

3,4-Dichlorobenzonitrile (CAS 6574-99-8) is not classified as highly toxic but requires careful handling. Prolonged skin or eye contact may cause irritation, and inhalation of its vapors should be avoided. Safety protocols include using appropriate PPE and following OSHA guidelines. Always refer to the SDS for detailed safety information.

How should 3,4-Dichlorobenzonitrile (CAS: 6574-99-8) be stored?

3,4-Dichlorobenzonitrile (CAS 6574-99-8) should be stored in a sealed, cool (below 25°C), and dry container, away from light and heat. Maintain low humidity to prevent degradation. Store in a well-ventilated area,远离 incompatible substances, and ensure proper labeling for safe handling and regulatory compliance.