6,8-DICHLORO-2-OXO-2H-CHROMENE-3-CARBOXYLIC ACID structure
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Common Name | 6,8-DICHLORO-2-OXO-2H-CHROMENE-3-CARBOXYLIC ACID | ||
|---|---|---|---|---|
| CAS Number | 2199-86-2 | Molecular Weight | 259.04200 | |
| Density | 1.712g/cm3 | Boiling Point | 460.7ºC at 760mmHg | |
| Molecular Formula | C10H4Cl2O4 | Melting Point | 198ºC | |
| MSDS | N/A | Flash Point | 232.4ºC | |
Summary: 6,8-DICHLORO-2-OXO-2H-CHROMENE-3-CARBOXYLIC ACID (CAS号2199-86-2), molecular formula C10H4Cl2O4, molecular weight 259.04200. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 6,8-dichloro-2-oxochromene-3-carboxylic acid |
|---|---|
| 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 | 1.712g/cm3 |
|---|---|
| Boiling Point | 460.7ºC at 760mmHg |
| Melting Point | 198ºC |
| Molecular Formula | C10H4Cl2O4 |
| Molecular Weight | 259.04200 |
| Flash Point | 232.4ºC |
| Exact Mass | 257.94900 |
| PSA | 67.51000 |
| LogP | 2.79800 |
| Vapour Pressure | 2.77E-09mmHg at 25°C |
| Index of Refraction | 1.657 |
| InChIKey | WJEHZKIVHXRVSR-UHFFFAOYSA-N |
| SMILES | O=C(O)c1cc2cc(Cl)cc(Cl)c2oc1=O |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 20/21/22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. Causes respiratory tract irritation. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 2199-86-2: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 198 - 200 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C10H4Cl2O4 Molecular Weight: 259.04 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 2199-86-2 unlisted. LD50/LC50: Not available. Carcinogenicity: 6,8-Dichloro-2-oxo-2H-chromene-3-carboxylic acid - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2811 Packing Group: III IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: III RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 2199-86-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 2199-86-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 2199-86-2 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xn:Harmful; |
|---|---|
| Risk Phrases | R20/21/22;R36/37/38 |
| Safety Phrases | S26-S36/37/39 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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6,8-DICHLORO-2-... CAS#:2199-86-2 |
| Literature: Undale, Kedar A.; Gaikwad, Dipak S.; Shaikh, Tarannum S.; Desai, Uday V.; Pore, Dattaprasad M. Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2012 , vol. 51, # 7 p. 1039 - 1042 |
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6,8-DICHLORO-2-... CAS#:2199-86-2 |
| Literature: Buu-Hoi et al. Bulletin de la Societe Chimique de France, 1957 , p. 561 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
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| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Flow Cytometric HTS Screen for inhibitors of the ABC transporter ABCB6 for Validation...
Source: NMMLSC
Target: ATP-binding cassette sub-family B member 6, mitochondrial [Homo sapiens]
External Id: UNMCMD_ABCB6_1o_ValidationSet
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Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 6,8-Dichloro-2-oxo-2H-chromene-3-carboxylic acid |
| 6,8-dichlorocoumarine-3-carboxylic acid |
| 6,8-Dichloro-3-carboxycoumarin |
| 6,8-Dichlorochromon-3-carboxylic acid |
| 6,8-dichlorocoumarin-3-carboxylic acid |
| 2-oxo-6,8-dichloro-2H-chromen-3-carboxylic acid |
| 6,8-diClCcaH |
| 6,8-Dichlor-2-oxo-2H-chromen-3-carbonsaeure |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 6,8-dichloro-2-oxochromene-3-carboxylic acid? |
| A: SMILES notation of 6,8-dichloro-2-oxochromene-3-carboxylic acid is O=C(O)c1cc2cc(Cl)cc(Cl)c2oc1=O. |
| Q: What is the melting point of 6,8-dichloro-2-oxochromene-3-carboxylic acid? |
| A: Melting point of 6,8-dichloro-2-oxochromene-3-carboxylic acid is 198ºC. |
| Q: What is the InChIKey of 6,8-dichloro-2-oxochromene-3-carboxylic acid? |
| A: InChIKey of 6,8-dichloro-2-oxochromene-3-carboxylic acid is WJEHZKIVHXRVSR-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 6,8-dichloro-2-oxochromene-3-carboxylic acid? |
| A: Polar surface area (PSA) of 6,8-dichloro-2-oxochromene-3-carboxylic acid is 67.51000. |
| Q: What is the boiling point of 6,8-dichloro-2-oxochromene-3-carboxylic acid? |
| A: Boiling point of 6,8-dichloro-2-oxochromene-3-carboxylic acid is 460.7ºC at 760mmHg. |
| Q: What is the CAS number of 6,8-dichloro-2-oxochromene-3-carboxylic acid? |
| A: CAS number of 6,8-dichloro-2-oxochromene-3-carboxylic acid is 2199-86-2. |
| Q: What is the LogP of 6,8-dichloro-2-oxochromene-3-carboxylic acid? |
| A: LogP of 6,8-dichloro-2-oxochromene-3-carboxylic acid is 2.79800. |
| Q: What is the English name of 6,8-dichloro-2-oxochromene-3-carboxylic acid? |
| A: The English name of 6,8-dichloro-2-oxochromene-3-carboxylic acid is 6,8-dichloro-2-oxochromene-3-carboxylic acid. |
| Q: What is the safety information for 6,8-dichloro-2-oxochromene-3-carboxylic acid? |
| A: Safety information for 6,8-dichloro-2-oxochromene-3-carboxylic acid: S26-S36/37/39. |
| Q: What is the molecular weight of 6,8-dichloro-2-oxochromene-3-carboxylic acid? |
| A: Molecular weight of 6,8-dichloro-2-oxochromene-3-carboxylic acid is 259.04200. |
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. |