2-tert-Butyl-9,10-anthraquinone
2-tert-Butyl-9,10-anthraquinone structure
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Common Name | 2-tert-Butyl-9,10-anthraquinone | ||
|---|---|---|---|---|
| CAS Number | 84-47-9 | Molecular Weight | 264.318 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 421.2±35.0 °C at 760 mmHg | |
| Molecular Formula | C18H16O2 | Melting Point | 98-100 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 157.5±22.9 °C | |
Summary: 2-tert-Butylanthraquinone (Chinese name: 2-叔丁基蒽醌, CAS number: 84-47-9) is a yellow crystalline powder with molecular formula C18H16O2 and molecular weight 264.318. It is primarily used as a carrier for anthraquinone process of hydrogen peroxide production and in dye manufacturing. 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 | 2-tert-Butylanthraquinone |
|---|---|
| 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 | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 421.2±35.0 °C at 760 mmHg |
| Melting Point | 98-100 °C(lit.) |
| Molecular Formula | C18H16O2 |
| Molecular Weight | 264.318 |
| Flash Point | 157.5±22.9 °C |
| Exact Mass | 264.115021 |
| PSA | 34.14000 |
| LogP | 5.07 |
| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
| Index of Refraction | 1.598 |
| InChIKey | YTPSFXZMJKMUJE-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1ccc2c(c1)C(=O)c1ccccc1C2=O |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | CB0487500 |
| HS Code | 2914690090 |
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 9 | |
|---|---|
| DownStream 2 | |
CAS#:18801-00-8
CAS#:917-92-0
CAS#:54160-73-5![2-[4-(1,1-dimethylethyl)benzoyl]benzoic acid Structure](https://image.chemsrc.com/caspic/084/146-81-6.png)
CAS#:146-81-6
CAS#:31592-26-4
CAS#:507-19-7
CAS#:84-65-1
CAS#:31592-27-5
CAS#:4923-66-4
CAS#:887951-17-9This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2914690090 |
|---|---|
| Summary | 2914690090 other quinones。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。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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Polymerization of Methyl Methacrylate Photoinitiated by Anthraquinone and 2-tert-Butylanthraquinone Ledwith, A., G. Ndaalio, and A. R. Taylor
Macromolecules 8(1) , 1-7, (1975)
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Liquid chromatographic detection of cardiac glycosides, saccharides and hydrocortisone based on the photoreduction of 2-tert-butylanthraquinone Gandelman, M. S.
Anal. Chim. Acta 155 , 159-171, (1983)
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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: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: qHTS of TDP-43 Inhibitors: NCGC Sytravon Library Screen
Source: NCGC
External Id: tdp43-p2-repeat
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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.
| EINECS 201-531-2 |
| 2-(2-Methyl-2-propanyl)-9,10-anthraquinone |
| 2-tert-Butylanthracene-9,10-dione |
| 2-tert-Butyl-9,10-anthraquinone |
| 2-tert-Butylanthracen-9,10-dion |
| MFCD00001232 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the safety information for 2-tert-Butylanthraquinone? |
| A: Safety information for 2-tert-Butylanthraquinone: S24/25. |
| Q: What English synonyms does 2-tert-Butylanthraquinone have? |
| A: English synonyms of 2-tert-Butylanthraquinone: EINECS 201-531-2, 2-(2-Methyl-2-propanyl)-9,10-anthraquinone, 2-tert-Butylanthracene-9,10-dione, 2-tert-Butyl-9,10-anthraquinone, 2-tert-Butylanthracen-9,10-dion, MFCD00001232. |
| Q: What is the SMILES notation of 2-tert-Butylanthraquinone? |
| A: SMILES notation of 2-tert-Butylanthraquinone is CC(C)(C)c1ccc2c(c1)C(=O)c1ccccc1C2=O. |
| Q: What is the CAS number of 2-tert-Butylanthraquinone? |
| A: CAS number of 2-tert-Butylanthraquinone is 84-47-9. |
| Q: What is the melting point of 2-tert-Butylanthraquinone? |
| A: Melting point of 2-tert-Butylanthraquinone is 98-100 °C(lit.). |
| Q: What is the InChIKey of 2-tert-Butylanthraquinone? |
| A: InChIKey of 2-tert-Butylanthraquinone is YTPSFXZMJKMUJE-UHFFFAOYSA-N. |
| Q: What is the LogP of 2-tert-Butylanthraquinone? |
| A: LogP of 2-tert-Butylanthraquinone is 5.07. |
| Q: What are the upstream materials of 2-tert-Butylanthraquinone? |
| A: Related upstream materials(CAS) of 2-tert-Butylanthraquinone: 18801-00-8;917-92-0;54160-73-5;146-81-6;31592-26-4;507-19-7;84-65-1;31592-27-5;4923-66-4. |
| Q: What is the English name of 2-tert-Butylanthraquinone? |
| A: The English name of 2-tert-Butylanthraquinone is 2-tert-Butylanthraquinone. |
| Q: What is the molecular formula of 2-tert-Butylanthraquinone? |
| A: Molecular formula of 2-tert-Butylanthraquinone is C18H16O2. |
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. |