2,6-Dichlorobenzeneacetonitrile
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2,6-Dichlorobenzeneacetonitrile
structure -
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CAS No:
3215-64-3
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Formula:
C8H5Cl2N
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Chemical Name:
2,6-Dichlorobenzeneacetonitrile
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Synonyms:
Benzeneacetonitrile,2,6-dichloro-;Acetonitrile,(2,6-dichlorophenyl)-;2,6-Dichlorobenzeneacetonitrile;(2,6-Dichlorophenyl)acetonitrile;2,6-Dichlorobenzyl cyanide;NSC 72901;2-(2,6-Dichlorophenyl)acetonitrile
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CAS No:
2,6-Dichlorobenzeneacetonitrile Basic Attributes
186.04
186.04
221-730-8
72901
DTXSID00185922
2926909090
Characteristics
23.8
2.8
White to light yellow crystalline powder
1.3±0.1 g/cm3
75-76 °C
286.9°C at 760 mmHg
124.0±17.4 °C
1.566
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.
Safety Information
III
6.1
3439
3
R20/21/22;R36/37/38
S26-S37/39-S36/37/39
Xn:Harmful
Stable under normal temperatures and pressures.
P261-P280-P305 + P351 + P338
H302 + H312 + H332-H315-H319-H335
|Danger|H301 (10.87%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, 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 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,6-Dichlorobenzeneacetonitrile Use and Manufacturing
(2, 6-DichIoro-phenyl)-6-(2, 4-difluoro-phenyIamino)-l-niethyl-pyrazolo[l, 5-a]pyrimidin-2-one:Step l(2, 6-DichIorophenyI)-acetonitrile: A 500 mL round-bottom flask was charged with a solution of KCN (26 g, 400.00 mmol) , 18-crown-6 (0.05 g) in water (60 ml). To this was added 1 , 3-dichloro-2- (chloromethyl)benzene (40 g, 206.24 mmol) in ethanol (300 ml). The resulting solution was allowed to stir for 1~3 hours while the temperature was maintained at reflux. The reaction progress was monitored by TLC (AcOEt: PE=I :4). The mixture was the concentrated to dryness on a rotary evaporator. The resulting residue was the transferred into a seperatory funnel, washed with water (5 x 100 mL) to afford 35.4 g (95percent) of 2-(2, 6-dichlorophenyl)acetonitrile as a white solid. This product was used without further purification.
Computed Properties
Molecular Weight:186.03
XLogP3:2.8
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:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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