ChemicalBook > CAS DataBase List > 3,4-Dichlorobenzonitrile

3,4-Dichlorobenzonitrile

Product Name
3,4-Dichlorobenzonitrile
CAS No.
6574-99-8
Chemical Name
3,4-Dichlorobenzonitrile
Synonyms
BUTTPARK 87\02-72;3,4-Dichlorobenzonit;3,4-Dichlorbenzonitril;3,4-Dichlorobenzonitrle;3,4-DICHLOROBENZONITRILE;Benzonitrile, 3,4-dichloro-;3,4-Dichlorobenzonitrile>3,4-Dichlorobenzonitrile 97%;Cyhalofop-butyl intermediate;3,4-Dichlorobenzonitrile ,99%
CBNumber
CB8753494
Molecular Formula
C7H3Cl2N
Formula Weight
172.01
MOL File
6574-99-8.mol
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3,4-Dichlorobenzonitrile Property

Melting point:
74-78 °C (lit.)
Boiling point:
129-130 °C(Press: 0.01 Torr)
Density 
1.40±0.1 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
Water Solubility 
Insoluble in water
form 
Powder or Crystalline Powder
color 
White to brown
BRN 
2326352
InChI
InChI=1S/C7H3Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H
InChIKey
KUWBYWUSERRVQP-UHFFFAOYSA-N
SMILES
C(#N)C1=CC=C(Cl)C(Cl)=C1
LogP
2.8 at 21.5℃
CAS DataBase Reference
6574-99-8(CAS DataBase Reference)
NIST Chemistry Reference
3,4-Dichlorobenzonitrile(6574-99-8)
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Safety

Hazard Codes 
Xn,T,Xi
Risk Statements 
20/21/22-36/37/38
Safety Statements 
26-36
RIDADR 
3276
WGK Germany 
2
Hazard Note 
Irritant/Toxic
TSCA 
N
HazardClass 
6.1
PackingGroup 
III
HS Code 
29269090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
532177
Product name
3,4-Dichlorobenzonitrile
Purity
97%
Packaging
5g
Price
$38.57
Updated
2025/07/31
TCI Chemical
Product number
D3415
Product name
3,4-Dichlorobenzonitrile
Purity
>98.0%(GC)
Packaging
5g
Price
$22
Updated
2025/07/31
TCI Chemical
Product number
D3415
Product name
3,4-Dichlorobenzonitrile
Purity
>98.0%(GC)
Packaging
25g
Price
$59
Updated
2025/07/31
TRC
Product number
D436533
Product name
3,4-Dichlorobenzonitrile
Packaging
500mg
Price
$65
Updated
2021/12/16
TRC
Product number
D436533
Product name
3,4-Dichlorobenzonitrile
Packaging
100mg
Price
$45
Updated
2021/12/16
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3,4-Dichlorobenzonitrile Chemical Properties,Usage,Production

Chemical Properties

White solid

Uses

3,4-Dichlorobenzonitrilemay be used in the preparation of:

  • 3,4-difluorobenzonitrile
  • 3-chloro-4-fluorobenzonitrile
  • 5-chloromethyl-3-( 3,4-dichlorophenyl)isoxazole
  • N-[3-(2-pyridyl)isoquinolin-1-yl]-3,4-dichlorobenzamidine

General Description

3,4-Dichlorobenzonitrile (3,4-DCBN) is an aromatic nitrile that can be prepared from 3,4-dichlorobenzamide.

Flammability and Explosibility

Not classified

Synthesis

6287-38-3

6574-99-8

GENERAL STEPS: 3,4-Dichlorobenzaldehyde (1.0 mmol, 1.0 eq.) was dissolved in 4 mL of aqueous solution containing acetic acid (1.0 mmol, 1.0 eq.) in a 10 mL round-bottomed flask at 0°C. The reaction was carried out at 50°C with stirring for 6 hours or monitored by thin-layer chromatography (TLC) until the reaction was complete. The reaction mixture was stirred at 50 °C for 6 h or monitored by thin layer chromatography (TLC) until the reaction was complete. Upon completion of the reaction, the reaction was quenched with 10% aqueous NaHCO3 (1 mL) and subsequently extracted with ethyl acetate (3 x 10 mL). The organic phases were combined, dried with anhydrous Na2SO4, filtered and concentrated by rotary evaporator to give the crude product 3,4-dichlorobenzonitrile. The product was characterized directly unless further purification by automated silica gel fast chromatography was required to remove trace impurities (three embodiments).

Toxics Screening Level

The initial threshold screening level (ITSL) for 3,4-dichlorobenzonitrile is 2 μg/m3 based on an annual averaging time.

References

[1] Synthetic Communications, 2000, vol. 30, # 17, p. 3109 - 3114
[2] Journal of Chemical Research - Part S, 2001, # 5, p. 190 - 191
[3] Tetrahedron Letters, 2016, vol. 57, # 34, p. 3844 - 3847
[4] Bioorganic and Medicinal Chemistry, 2004, vol. 12, # 11, p. 2815 - 2824
[5] Synthetic Communications, 2002, vol. 32, # 23, p. 3621 - 3624

3,4-Dichlorobenzonitrile Preparation Products And Raw materials

Raw materials

Preparation Products

4-Chloro-3-fluorobenzonitrile
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3,4-Dichlorobenzonitrile Suppliers

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View Lastest Price from 3,4-Dichlorobenzonitrile manufacturers

Hebei Chuanghai Biotechnology Co,.LTD
Product
3,4-Dichlorobenzonitrile 6574-99-8
Price
US $60.00/KG
Min. Order
1KG
Purity
99.9%
Supply Ability
100000kg
Release date
2024-08-13
Zhuozhou Wenxi import and Export Co., Ltd
Product
3,4-Dichlorobenzonitrile 6574-99-8
Price
US $15.00-10.00/KG
Min. Order
1KG
Purity
99%+ HPLC
Supply Ability
Monthly supply of 1 ton
Release date
2021-07-10
Zhuozhou Wenxi import and Export Co., Ltd
Product
3,4-Dichlorobenzonitrile 6574-99-8
Price
US $15.00-10.00/KG
Min. Order
1KG
Purity
99%+ HPLC
Supply Ability
Monthly supply of 1 ton
Release date
2021-07-09

6574-99-8, 3,4-DichlorobenzonitrileRelated Search:

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