- 3,4-Dichlorobenzonitrile
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- $15.00 / 1KG
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2021-07-13
- CAS:6574-99-8
- Min. Order: 1KG
- Purity: 99%+ HPLC
- Supply Ability: Monthly supply of 1 ton
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| | 3,4-Dichlorobenzonitrile Basic information |
| Product Name: | 3,4-Dichlorobenzonitrile | | Synonyms: | 3,4-Dichlorobenzonitrile 97%;3,4-Dichlorobenzonitrle;3,4-Dichlorbenzonitril;3,4-DICHLOROBENZONITRILE HPLC99%;3,4-Dichlorobenzonitrile ,99%;3,4-Dichlorobenzonit;Benzonitrile, 3,4-dichloro-;BUTTPARK 87\02-72 | | CAS: | 6574-99-8 | | MF: | C7H3Cl2N | | MW: | 172.01 | | EINECS: | 229-494-8 | | Product Categories: | C6 to C7;Cyanides/Nitriles;Nitrogen Compounds;Nitrile;Chlorine Compounds;Nitriles;Aromatic Nitriles;intermediate | | Mol File: | 6574-99-8.mol |  |
| | 3,4-Dichlorobenzonitrile Chemical Properties |
| 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) |
| 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 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 3,4-Dichlorobenzonitrile Usage And Synthesis |
| 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 | 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 |
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