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Home > Encyclopedia > 2,4-Dichlorobenzeneacetonitrile

2,4-Dichlorobenzeneacetonitrile

2,4-Dichlorobenzeneacetonitrile structure

2,4-Dichlorobenzeneacetonitrile 

structure
  • CAS No:

    6306-60-1

  • Formula:

    C8H5Cl2N

  • Chemical Name:

    2,4-Dichlorobenzeneacetonitrile

  • Synonyms:

    Benzeneacetonitrile,2,4-dichloro-;Acetonitrile,(2,4-dichlorophenyl)-;2,4-Dichlorobenzeneacetonitrile;2-(2,4-Dichlorophenyl)acetonitrile;2,4-Dichlorobenzyl cyanide;2,4-Dichlorophenylacetonitrile;NSC 22988

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

Description

white to light yellow crystal powder

2,4-Dichlorobenzeneacetonitrile Basic Attributes

186.035

186.04

228-621-4

D9J4C5M11E

22988

DTXSID6041185

2926909090

Characteristics

23.8

3.1

White powder.

1.3±0.1 g/cm3

57-59 °C

170 °C @ Press: 12 Torr

124.0±17.4 °C

1.566

Store in a cool, dry place. Store in a tightly closed container.

Safety Information

III

6.1

3276

1

R20/21/22;R36/37/38

S26-S36/37/39

Xn:Harmful

P261-P305 + P351 + P338

H315-H319-H335

|Danger|H301 (56.55%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 168 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,4-Dichlorobenzeneacetonitrile Use and Manufacturing

General procedure: To amixture of the benzyl halide (1.0mmol) and NaCN (2mmol) inwater (5 mL), PEG-MDIL (0.2 g) was added. The suspension was magneticallystirred under reflux conditions for the time shown in Table 2.After completion of the reaction, the mixture was extracted with ether(2 × 10 mL). The combined organic extracts (dried over CaCl2) wereevaporated under reduced pressure. The desired benzyl cyanide wasobtained in good to excellent isolated yields (Scheme 3).General procedure: To a mixture of the benzyl halide (1.0 mmol) and MY (Y:N3, SCN, OAc, CN) (2 mmol) in water (5 ml), -CDPU-MNPs (0.1 g) was added. The suspension was magnetically stirred under reflux conditions for the time shown in Table 1. After complete consumption of starting material as judged by TLC (using n-hexane–ethylacetate as eluent), the catalyst was concentrated on the sidewall of the reaction vessel using an external magnet, the aqueous phase was separated by decantation and extracted with diethyl ether (2× 10 mL). The extracted was dried with calcium chloride (CaCl2) and evaporated in vacuo to give corresponding product. The residual catalyst in the reaction vessel was washed and dried and then subjected to the next run directly.General procedure: A mixture of MOM–ethers (1 mmol) [Bu

Computed Properties

Molecular Weight:186.03
XLogP3:3.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:184.9799046
Monoisotopic Mass:184.9799046
Topological Polar Surface Area:23.8
Heavy Atom Count:11
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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