2,3-Dichloro-5,6-dicyano-1,4-benzoquinone
2,3-Dichloro-5,6-dicyano-1,4-benzoquinone structure
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Common Name | 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone | ||
|---|---|---|---|---|
| CAS Number | 84-58-2 | Molecular Weight | 227.004 | |
| Density | 1.7±0.1 g/cm3 | Boiling Point | 301.8±42.0 °C at 760 mmHg | |
| Molecular Formula | C8Cl2N2O2 | Melting Point | 210-215 °C (dec.)(lit.) | |
| MSDS | Chinese USA | Flash Point | 136.3±27.9 °C | |
| Symbol |
GHS06 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| 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 |
| InChIKey | HZNVUJQVZSTENZ-UHFFFAOYSA-N |
| SMILES | N#CC1=C(C#N)C(=O)C(Cl)=C(Cl)C1=O |
| Water Solubility | reacts |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
MUTATION DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| 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 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 10 | |
![4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile compound with 3-(2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one (1:1) Structure](https://image.chemsrc.com/caspic/111/1425681-45-3.png)
CAS#:1425681-45-3
CAS#:4640-41-9
CAS#:4622-04-2
CAS#:6476-44-4
CAS#:35079-56-2
CAS#:52805-36-4
CAS#:43020-38-8
CAS#:4210-32-6
CAS#:939-79-7
CAS#:37942-07-7
CAS#:73048-90-5
CAS#:20297-37-4
CAS#:588-46-5
CAS#:100-52-7
CAS#:108-95-2This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| 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% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Amino Acid-Porphyrin Conjugates: Synthesis and Study of their Photophysical and Metal Ion Recognition Properties.
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... |
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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... |
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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 ... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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Name: Selectivity index, ratio of IC50 for MRC5 cells to IC50 for chloroquine-sensitive NF5...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3762119
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 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 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: How is the water solubility of 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone? |
| A: Water solubility of 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone: reacts. |
| Q: What is the polar surface area (PSA) of 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone? |
| A: Polar surface area (PSA) of 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone is 81.72000. |
| Q: What is the InChIKey of 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone? |
| A: InChIKey of 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone is HZNVUJQVZSTENZ-UHFFFAOYSA-N. |
| Q: What are the downstream products of 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone? |
| A: Related downstream products(CAS) of 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone: 52805-36-4;43020-38-8;4210-32-6;939-79-7;37942-07-7;73048-90-5;20297-37-4;588-46-5;100-52-7;108-95-2. |
| Q: What is the molecular formula of 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone? |
| A: Molecular formula of 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone is C8Cl2N2O2. |
| Q: What is the CAS number of 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone? |
| A: CAS number of 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone is 84-58-2. |
| Q: What English synonyms does 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone have? |
| A: English synonyms of 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone: 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. |
| Q: What is the melting point of 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone? |
| A: Melting point of 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone is 210-215 °C (dec.)(lit.). |
| Q: What is the English name of 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone? |
| A: The English name of 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone is 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone. |
| Q: What is the molecular weight of 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone? |
| A: Molecular weight of 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone is 227.004. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |