Phenindione
Phenindione structure
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Common Name | Phenindione | ||
|---|---|---|---|---|
| CAS Number | 83-12-5 | Molecular Weight | 222.23900 | |
| Density | 1.343g/cm3 | Boiling Point | 243.3 °C (0.3 mmHg) | |
| Molecular Formula | C15H10O2 | Melting Point | 144-148 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 208 °C | |
| Symbol |
GHS06 |
Signal Word | Danger | |
Use of PhenindionePhenindione is an anticoagulant which functions as a Vitamin K antagonist.Target: OthersPhenindione(Rectadione) is an anticoagulant which functions as a Vitamin K antagonist. A lymphocyte transformation test showed proliferation of T-cells from the hypersensitive patient, but not from four controls on exposure to phenindione in vitro. Drug-specific T-cell clones were generated and characterized in terms of their phenotype, functionality, and mechanism of antigen presentation. Forty-three human leukocyte antigen class II restricted CD4+ αβ T-cell clones were identified. T-cell activation resulted in the secretion of interferon-γ and interleukin-5 [1]. |
Summary: Phenindione, with CAS number 83-12-5, is an anticoagulant with molecular formula C15H10O2 and molecular weight 222.23900. 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 | phenindione |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Phenindione is an anticoagulant which functions as a Vitamin K antagonist.Target: OthersPhenindione(Rectadione) is an anticoagulant which functions as a Vitamin K antagonist. A lymphocyte transformation test showed proliferation of T-cells from the hypersensitive patient, but not from four controls on exposure to phenindione in vitro. Drug-specific T-cell clones were generated and characterized in terms of their phenotype, functionality, and mechanism of antigen presentation. Forty-three human leukocyte antigen class II restricted CD4+ αβ T-cell clones were identified. T-cell activation resulted in the secretion of interferon-γ and interleukin-5 [1]. |
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| Related Catalog | |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.343g/cm3 |
|---|---|
| Boiling Point | 243.3 °C (0.3 mmHg) |
| Melting Point | 144-148 °C(lit.) |
| Molecular Formula | C15H10O2 |
| Molecular Weight | 222.23900 |
| Flash Point | 208 °C |
| Exact Mass | 222.06800 |
| PSA | 34.14000 |
| LogP | 2.84940 |
| Index of Refraction | 1.703 |
| InChIKey | NFBAXHOPROOJAW-UHFFFAOYSA-N |
| SMILES | O=C1c2ccccc2C(=O)C1c1ccccc1 |
| Storage condition | 2-8°C |
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
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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-H317 |
| Precautionary Statements | P280-P301 + P310 |
| Personal Protective Equipment | Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges |
| Hazard Codes | T: Toxic; |
| Risk Phrases | R25 |
| Safety Phrases | S36/37/39-S45 |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | NK6125000 |
| Packaging Group | III |
| Hazard Class | 6.1(b) |
| HS Code | 2914399090 |
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 8 | |
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| DownStream 10 | |
CAS#:74942-26-0
CAS#:151-88-2
CAS#:1807-49-4
CAS#:71-43-2
CAS#:79963-47-6
CAS#:91512-16-2
CAS#:87-41-2
CAS#:100-52-7
CAS#:1483-71-2
CAS#:14303-28-7
CAS#:4505-48-0
CAS#:1801-20-3
CAS#:1801-21-4
CAS#:1953-70-4
CAS#:520-03-6
CAS#:65-85-0
CAS#:84-66-2
CAS#:7386-21-2This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2914399090 |
|---|---|
| Summary | 2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
Bioorg. Med. Chem. 18 , 2225-31, (2010) There are many of pathogen parasite species with different susceptibility profile to antiparasitic drugs. Unfortunately, almost QSAR models predict the biological activity of drugs against only one pa... |
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Development of a phospholipidosis database and predictive quantitative structure-activity relationship (QSAR) models.
Toxicol. Mech. Methods 18 , 217-27, (2008) ABSTRACT Drug-induced phospholipidosis (PL) is a condition characterized by the accumulation of phospholipids and drug in lysosomes, and is found in a variety of tissue types. PL is frequently manifes... |
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Maintenance of anticoagulant and antiplatelet agents for patients undergoing peribulbar anesthesia and vitreoretinal surgery.
Retina (Philadelphia, Pa.) 32(9) , 1868-73, (2012) To establish the prevalence of anticoagulation (vitamin K antagonists) and antiplatelet agent therapy in patients undergoing vitreoretinal surgery and to compare the outcome of peribulbar anesthesia a... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression
Source: NCGC
External Id: SNCA-p-activity-luciferase
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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: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
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Name: Increase the activity of the Burkholderia fixLJ 2-component system
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Burkholderia multivorans
External Id: HMS1625
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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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Name: qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity
Source: NCGC
External Id: HERG01
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Name: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen
Source: NCGC
Target: N/A
External Id: SMAD3201
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Name: uHTS identification of cystic fibrosis induced NFkb Inhibitors in a fluoresence assay
Source: Burnham Center for Chemical Genomics
Target: cystic fibrosis transmembrane conductance regulator [Homo sapiens]
External Id: SBCCG-A764-CF-PAF-Primary-Assay
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ant...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_ANT_FLUO8_1536_1X%INH PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-PHENYL-1,3-INDANDIONE |
| 2-phenylindene-1,3-dione |
| EINECS 201-454-4 |
| MFCD00003782 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does phenindione have? |
| A: English synonyms of phenindione: 2-PHENYL-1,3-INDANDIONE, 2-phenylindene-1,3-dione, EINECS 201-454-4, MFCD00003782. |
| Q: What are the upstream materials of phenindione? |
| A: Related upstream materials(CAS) of phenindione: 74942-26-0;151-88-2;1807-49-4;71-43-2;79963-47-6;91512-16-2;87-41-2;100-52-7. |
| Q: What are the downstream products of phenindione? |
| A: Related downstream products(CAS) of phenindione: 1483-71-2;14303-28-7;4505-48-0;1801-20-3;1801-21-4;1953-70-4;520-03-6;65-85-0;84-66-2;7386-21-2. |
| Q: What is the InChIKey of phenindione? |
| A: InChIKey of phenindione is NFBAXHOPROOJAW-UHFFFAOYSA-N. |
| Q: What is the LogP of phenindione? |
| A: LogP of phenindione is 2.84940. |
| Q: What is the CAS number of phenindione? |
| A: CAS number of phenindione is 83-12-5. |
| Q: What is the boiling point of phenindione? |
| A: Boiling point of phenindione is 243.3 °C (0.3 mmHg). |
| Q: What is the melting point of phenindione? |
| A: Melting point of phenindione is 144-148 °C(lit.). |
| Q: What are the storage conditions for phenindione? |
| A: Storage conditions for phenindione: 2-8°C. |
| Q: What is the polar surface area (PSA) of phenindione? |
| A: Polar surface area (PSA) of phenindione is 34.14000. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |