2,3-Dichloro-5,6-dicyano-1,4-benzoquinone
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2,3-Dichloro-5,6-dicyano-1,4-benzoquinone
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CAS No:
84-58-2
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Formula:
C8Cl2N2O2
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Chemical Name:
2,3-Dichloro-5,6-dicyano-1,4-benzoquinone
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Synonyms:
1,4-Cyclohexadiene-1,2-dicarbonitrile,4,5-dichloro-3,6-dioxo-;4,5-Dichloro-3,6-dioxo-1,4-cyclohexadiene-1,2-dicarbonitrile;DDQ (oxidizing agent);2,3-Dichloro-5,6-dicyanoquinone;2,3-Dichloro-5,6-dicyanobenzoquinone;2,3-Dichloro-5,6-dicyano-p-quinone;2,3-Dichloro-5,6-dicyano-p-benzoquinone;4,5-Dichloro-3,6-dioxo-1,2-benzenedicarbonitrile;Dichlorodicyanoquinone;Dichlorodicyanobenzoquinone;2,3-Dicyano-5,6-dichloro-1,4-benzoquinone;5,6-Dicyano-2,3-dichloro-p-benzoquinone;1,2-Dichloro-4,5-dicyano-p-benzoquinone;Dichlorodicyano-p-benzoquinone;2,3-Dicyano-5,6-dichlorobenzoquinone;2,3-Chloro-5,6-dicyanoquinone;2,3-Dichlorodicyano-p-benzoquinone;DDQ;2,3-Dichloro-5,6-cyano-1,4-benzoquinone;Dicyanodichloroquinone;5,6-Dichloro-2,3-dicyano-p-benzoquinone;2,3-Dichloro-5,6-dicyano-1,4-benzoquinone;NSC 401087;Dichloro-5,6-dicyano-1,4-benzoquinone
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CAS No:
2,3-Dichloro-5,6-dicyano-1,4-benzoquinone Basic Attributes
227
227.00
747939
201-542-2
1H5KD39UH7
401087
DTXSID7052577
29269095
Characteristics
81.7
1.6
Yellow to orange Crystalline Powder or Crystals
1.7500 (estimate)
214.5 °C
301.8ºC at 760 mmHg
136.3ºC
1.601
Solubility in water: reaction.;soluble in benzene, methanol, acetic acid and dioxane.Slightly soluble in chloroform,, dichloromethane.
0-6°C
Abdominal-mouse LD50: 31 mg/kg; intravenous-mouse LD50: 13 mg/kg
Open flame is flammable; high heat releases nitrogen oxide and chloride gas
Safety Information
II
6.1
UN 3439 6.1/PG 3
3
25-29-41-37/38-20/21-23/24/25
22-24/25-37-45-36/37-26-36/37/39
GU4825000
T
Storehouse ventilated at low temperature and dry; stored separately from oxidants, food chemical additives, acids
Stable under normal temperatures and pressures.
P264, P270, P301+P310, P321, P330, P405, P501
H301
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, P405, and P501|Aggregated GHS information provided by 69 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,3-Dichloro-5,6-dicyano-1,4-benzoquinone Use and Manufacturing
Stir 2, 3-dicyanohydroquinone and hydrochloric acid into a slurry, slowly add 70% nitric acid at about 35°C, and continue stirring for 1 hour. Filter, wash with carbon tetrachloride, and dry to obtain DDQ with a yield of 90%.
An oxidizing agent, especially in steroid synthesis.
1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dichloro-3,6-dioxo-: ACTIVE
Computed Properties
Molecular Weight:227.00
XLogP3:1.6
Hydrogen Bond Acceptor Count:4
Exact Mass:225.9336826
Monoisotopic Mass:225.9336826
Topological Polar Surface Area:81.7
Heavy Atom Count:14
Complexity:464
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2,3-Dichloro-5,6-dicyano-1,4-benzoquinone
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