2,4-Dichlorobenzeneacetonitrile
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2,4-Dichlorobenzeneacetonitrile
structure -
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CAS No:
6306-60-1
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Formula:
C8H5Cl2N
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Chemical Name:
2,4-Dichlorobenzeneacetonitrile
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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
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CAS No:
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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