1,3-Benzodioxole,5-bromo-6-(1,3-dioxolan-2-yl) structure
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Common Name | 1,3-Benzodioxole,5-bromo-6-(1,3-dioxolan-2-yl) | ||
|---|---|---|---|---|
| CAS Number | 2139-43-7 | Molecular Weight | 273.08000 | |
| Density | 1.682g/cm3 | Boiling Point | 322.5ºC at 760mmHg | |
| Molecular Formula | C10H9BrO4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 130.5ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole |
|---|---|
| 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 | 1.682g/cm3 |
|---|---|
| Boiling Point | 322.5ºC at 760mmHg |
| Molecular Formula | C10H9BrO4 |
| Molecular Weight | 273.08000 |
| Flash Point | 130.5ºC |
| Exact Mass | 271.96800 |
| PSA | 36.92000 |
| LogP | 2.22320 |
| Vapour Pressure | 0.000523mmHg at 25°C |
| Index of Refraction | 1.597 |
| InChIKey | PVYUTFBRTJGJMI-UHFFFAOYSA-N |
| SMILES | Brc1cc2c(cc1C1OCCO1)OCO2 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2932999099 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~99%
1,3-Benzodioxol... CAS#:2139-43-7 |
| Literature: Yoda, Hidemi; Nakahama, Akira; Koketsu, Tomomi; Takabe, Kunihiko Tetrahedron Letters, 2002 , vol. 43, # 26 p. 4667 - 4669 |
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~72%
1,3-Benzodioxol... CAS#:2139-43-7 |
| Literature: Bearsden Bio, Inc. Patent: US6048853 A1, 2000 ; |
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~%
1,3-Benzodioxol... CAS#:2139-43-7 |
| Literature: Kita, Yasuyuki; Arisawa, Mitsuhiro; Gyoten, Michiyo; Nakajima, Makiko; Hamada, Ryuji; Tohma, Hirofumi; Takada, Takeshi Journal of Organic Chemistry, 1998 , vol. 63, # 19 p. 6625 - 6633 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
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| DownStream 6 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2932999099 |
|---|---|
| Summary | 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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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: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
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Name: Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
Source: Broad Institute
Target: N/A
External Id: 2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
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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: High throughput screen for small molecule inhibitors of a hypoxia-regulated fluoresce...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1149-MLP
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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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-bromo-4,5-methylenedioxybenzaldehyde ethylene acetal |
| 2-bromo-4,5-methylendioxy-1-(1,3-dioxolanyl)benzene |
| 5-bromo-6-[1,3]dioxolan-2-yl-benzo[1,3]dioxole |
| 6-bromopiperonal ethylene acetal |
| HMS3089L19 |
| 5-bromo-6-(1,3-dioxolanyl-2-yl)-2,3-methylenedioxybenzene |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole? |
| A: The English name of 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole is 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole. |
| Q: What is the polar surface area (PSA) of 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole? |
| A: Polar surface area (PSA) of 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole is 36.92000. |
| Q: What are the upstream materials of 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole? |
| A: Related upstream materials(CAS) of 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole: 15930-53-7;107-21-1;994-30-9. |
| Q: What is the molecular formula of 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole? |
| A: Molecular formula of 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole is C10H9BrO4. |
| Q: What is the boiling point of 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole? |
| A: Boiling point of 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole is 322.5ºC at 760mmHg. |
| Q: What is the SMILES notation of 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole? |
| A: SMILES notation of 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole is Brc1cc2c(cc1C1OCCO1)OCO2. |
| Q: What is the LogP of 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole? |
| A: LogP of 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole is 2.22320. |
| Q: What is the CAS number of 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole? |
| A: CAS number of 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole is 2139-43-7. |
| Q: What are the downstream products of 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole? |
| A: Related downstream products(CAS) of 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole: 1805-94-3;269-50-1;65673-83-8;69048-76-6;58343-53-6;5423-32-5. |
| Q: What English synonyms does 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole have? |
| A: English synonyms of 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole: 2-bromo-4,5-methylenedioxybenzaldehyde ethylene acetal, 2-bromo-4,5-methylendioxy-1-(1,3-dioxolanyl)benzene, 5-bromo-6-[1,3]dioxolan-2-yl-benzo[1,3]dioxole, 6-bromopiperonal ethylene acetal, HMS3089L19, 5-bromo-6-(1,3-dioxolanyl-2-yl)-2,3-methylenedioxybenzene. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |