2,3-Dichloro-5,6-dicyano-1,4-benzoquinone
Names
[ CAS No. ]:
84-58-2
[ Name ]:
2,3-Dichloro-5,6-dicyano-1,4-benzoquinone
[Synonym ]:
DDQ
2,3-dichloro-5,6-dicyanobenzoquinone
4,5-Dichloro-3,6-dioxo-1,4-cyclohexadiene-1,2-dicarbonitrile
EINECS 201-542-2
2,3-Dichloro-5,6-dicyano-p-benzoquinone
4,5-Dichlor-3,6-dioxocyclohexa-1,4-dien-1,2-dicarbonitril
2,3-Dichloro-5,6-dicyano-1,4-benzoquinone
dichlorodicyanobenzoquinone
4,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile
MFCD00001593
dichlorodicyanoquinone
1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dichloro-3,6-dioxo-
Chemical & Physical Properties
[ Density]:
1.7±0.1 g/cm3
[ Boiling Point ]:
301.8±42.0 °C at 760 mmHg
[ Melting Point ]:
210-215 °C (dec.)(lit.)
[ Molecular Formula ]:
C8Cl2N2O2
[ Molecular Weight ]:
227.004
[ Flash Point ]:
136.3±27.9 °C
[ Exact Mass ]:
225.933685
[ PSA ]:
81.72000
[ LogP ]:
-0.54
[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C
[ Index of Refraction ]:
1.601
[ Water Solubility ]:
reacts
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- GU4825000
- CHEMICAL NAME :
- 1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dichloro-3,6-dioxo-
- CAS REGISTRY NUMBER :
- 84-58-2
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C8-Cl2-N2-O2
- MOLECULAR WEIGHT :
- 227.00
- WISWESSER LINE NOTATION :
- L6V DVJ BCN CCN EG FG
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 31 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 13 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA
- TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 180 nmol/plate
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 347,37,1995
Safety Information
[ Symbol ]:
GHS06
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H301
[ Supplemental HS ]:
Contact with water liberates toxic gas.
[ Precautionary Statements ]:
P301 + P310
[ Personal Protective Equipment ]:
Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
[ Hazard Codes ]:
T:Toxic
[ Risk Phrases ]:
R20/21;R25;R37/38;R41
[ Safety Phrases ]:
S22-S24/25-S37-S45-S36/37-S26
[ RIDADR ]:
UN 3439 6.1/PG 3
[ WGK Germany ]:
3
[ RTECS ]:
GU4825000
[ Packaging Group ]:
II
[ Hazard Class ]:
6.1
[ HS Code ]:
2926909090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2926909090
[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
Articles
Photochem. Photobiol. 91 , 1348-55, (2015)
Synthesis, photophysical and metal ion recognition properties of a series of amino acid-linked free-base and Zn-porphyrin derivatives (5-9) are reported. These porphyrin derivatives showed favorable p...
A BODIPY-luminol chemiluminescent resonance energy-transfer (CRET) cassette for imaging of cellular superoxide.Org. Biomol. Chem. 13(6) , 1763-7, (2015)
Spectroscopic and in cellulo studies are here reported on the very first BODIPY-luminol chemiluminescent resonance energy-transfer (CRET) cassette where the luminol CL agent is covalently linked to th...
Charge-transfer complexes of 2,3-dichloro-5,6-dicyano-1,4-benzoquinone with amino molecules in polar solvents.Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 149 , 75-82, (2015)
The charge-transfer complexes have scientific relevance because this type of molecular interaction is at the basis of the activity of pharmacological compounds and because the absorption bands of the ...