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2,3-dicyano-5,6-dichloro-p-benzoquinone
Conditions | Yield |
---|---|
Stage #1: C10H10N4O2 With sodium chloride at 38℃; for 2h; Stage #2: With ethyl 3-chloropropanoate; tetracarbonyl nickel at 45℃; for 3h; Temperature; | 96% |
Conditions | Yield |
---|---|
With nitric acid |
pyrene - 2,3-dichloro-5,6-dicyano-p-benzoquinone complex
A
pyrene
B
2,3-dicyano-5,6-dichloro-p-benzoquinone
Conditions | Yield |
---|---|
In chloroform at 31℃; Equilibrium constant; Thermodynamic data; other temperatures, ΔH; |
[2,2']Bi[[1,3]dithiolylidene]
2,3-dichloro-5,6-dicyano-1,4-benzoquinone anion radical
A
tetrathiafulvalene
B
2,3-dicyano-5,6-dichloro-p-benzoquinone
Conditions | Yield |
---|---|
In acetonitrile at 25℃; Equilibrium constant; |
C14H13NO*C8Cl2N2O2
A
(Z)-N-(3-methylbenzylidene)-1-phenylmethanamine oxide
B
2,3-dicyano-5,6-dichloro-p-benzoquinone
Conditions | Yield |
---|---|
In dichloromethane at 25℃; Equilibrium constant; |
C14H13NO*C8Cl2N2O2
A
N-(4-methylbenzylidene)aniline oxide
B
2,3-dicyano-5,6-dichloro-p-benzoquinone
Conditions | Yield |
---|---|
In dichloromethane at 25℃; Equilibrium constant; |
Conditions | Yield |
---|---|
In chloroform at 31℃; Equilibrium constant; Thermodynamic data; other temperatures, ΔH; |
Conditions | Yield |
---|---|
In chloroform at 31℃; Equilibrium constant; Thermodynamic data; other temperatures, ΔH; |
Conditions | Yield |
---|---|
In chloroform at 31℃; Equilibrium constant; Thermodynamic data; other temperatures, ΔH; |
A
N-(2-chlorobenzylidene)aniline N-oxide
B
2,3-dicyano-5,6-dichloro-p-benzoquinone
Conditions | Yield |
---|---|
In dichloromethane at 25℃; Equilibrium constant; |
Purity ≥98.0% (GC)
Loss on drying <0.5 % (80°C)
Ash<0.1 %
1.Introduction of 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone
The 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone,with its CAS NO.84-58-2,is a kind of yellow to orange crystals. It is soluble in benzene, acetic acid, slightly soluble in chloroform and dichloromethane. It has synonyms of DDQ (oxidizing agent);2,3-Dicyano-5,6-dichlorobenzoquinone;5,6-Dicyano-2,3-dichloro-p-benzoquinone;4,5-Dichloro-3,6-dioxo-1, 4-cyclohexadiene-1,2-dicarbonitrile and 1,4-Cyclohexadiene-1,2-dicarbonitrile,4,5- dichloro-3,6-dioxo-. 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone should be stored in shady and cool warehouse and mainly used in synthesis of steroidal compounds oxidant, for the use of family planning and chlormadinone acetate, three ene norgestrel production.
2.Properties of 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone
(1) Density: 1.7 g/cm3 (2) Melting Point: 210-215 °C (dec.)(lit.) (3) Boiling Point: 301.8 °C at 760 mmHg
(4) Index of Refraction: 1.601 (5) Molar Refractivity: 45.73 cm3 (6) Molar Volume: 133.4 cm3
(7) Surface Tension: 71.4 dyne/cm (8) Enthalpy of Vaporization: 54.2 kJ/mol (9) Vapour Pressure: 0.00103 mmHg at 25 °C
(10) Storage Temp.: 0-6 °C (11)Water Solubility: reacts (12) Sensitive: moisture sensitive
(13) XLogP3-AA: 1.6 (14) H-Bond Acceptor: 4 (15) Exact Mass: 225.933683 (16) MonoIsotopic Mass: 225.933683
(17) Topological Polar Surface Area: 81.7 (18) Heavy Atom Count: 14
3.Structure descriptors of 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone
SMILES: C(#N)C1=C(C(=O)C(=C(C1=O)Cl)Cl)C#N
InChI: InChI=1S/C8Cl2N2O2/c9-5-6(10)8(14)4(2-12)3(1-11)7(5)13
InChIKey: HZNVUJQVZSTENZ-UHFFFAOYSA-N
4.Safety data of 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone
Hazard Codes: T
Risk Statements: 25-29-41-37/38-20/21-23/24/25
R25 :Toxic if swallowed.
R29:Contact with water liberates toxic gas.
R41:Risk of serious damage to the eyes.
R37/38:Irritating to respiratory system and skin.
R20/21:Harmful by inhalation and in contact with skin.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
Safety Statements: 22-24/25-37-45-36/37-26-36/37/39
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
S37:Wear suitable gloves.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37:Wear suitable protective clothing and gloves.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 3439 6.1/PG 3
WGK Germany: 3
RTECS: GU4825000
F: 21
HazardClass: 6.1
PackingGroup: II
HS Code: 29269095
5.Toxity data of 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 31mg/kg (31mg/kg) | Chemotherapy Vol. 16, Pg. 371, 1971. | |
mouse | LD50 | intravenous | 13mg/kg (13mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07894, |