5-Nitroisoquinoline structure
|
Common Name | 5-Nitroisoquinoline | ||
|---|---|---|---|---|
| CAS Number | 607-32-9 | Molecular Weight | 174.156 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 340.5±17.0 °C at 760 mmHg | |
| Molecular Formula | C9H6N2O2 | Melting Point | 106-109 °C(lit.) | |
| MSDS | N/A | Flash Point | 159.7±20.9 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-Nitroisoquinoline |
|---|---|
| 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 | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 340.5±17.0 °C at 760 mmHg |
| Melting Point | 106-109 °C(lit.) |
| Molecular Formula | C9H6N2O2 |
| Molecular Weight | 174.156 |
| Flash Point | 159.7±20.9 °C |
| Exact Mass | 174.042923 |
| PSA | 58.71000 |
| LogP | 1.69 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.682 |
| InChIKey | PYGMPFQCCWBTJQ-UHFFFAOYSA-N |
| SMILES | O=[N+]([O-])c1cccc2cnccc12 |
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.
| Hazard Codes | Xn:Harmful; |
|---|---|
| Risk Phrases | R20/21/22;R38 |
| Safety Phrases | S26-S37/39-S36/37/39 |
| WGK Germany | 3 |
| HS Code | 2933499090 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 10 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933499090 |
|---|---|
| Summary | 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. 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: 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: 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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Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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Name: uHTS identification of small molecule modulators of NR3A
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: SBCCG-A1015-NR3A-Primary-Assay
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Name: uHTS identification of small molecule modulators of Rev-erb Alpha.
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: SBCCG-A1016-RevErbaLBD-Primary-Assay
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5-Nitroisoquinoline |
| Isoquinoline,5-nitro |
| EINECS 210-133-8 |
| MFCD00006905 |
| 5-NO2-isoquinoline |
| 5-nitro isoquinoline |
| 5-nitroisochinolin |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of 5-Nitroisoquinoline? |
| A: Boiling point of 5-Nitroisoquinoline is 340.5±17.0 °C at 760 mmHg. |
| Q: What is the InChIKey of 5-Nitroisoquinoline? |
| A: InChIKey of 5-Nitroisoquinoline is PYGMPFQCCWBTJQ-UHFFFAOYSA-N. |
| Q: What is the melting point of 5-Nitroisoquinoline? |
| A: Melting point of 5-Nitroisoquinoline is 106-109 °C(lit.). |
| Q: What is the LogP of 5-Nitroisoquinoline? |
| A: LogP of 5-Nitroisoquinoline is 1.69. |
| Q: What is the polar surface area (PSA) of 5-Nitroisoquinoline? |
| A: Polar surface area (PSA) of 5-Nitroisoquinoline is 58.71000. |
| Q: What English synonyms does 5-Nitroisoquinoline have? |
| A: English synonyms of 5-Nitroisoquinoline: 5-Nitroisoquinoline, Isoquinoline,5-nitro, EINECS 210-133-8, MFCD00006905, 5-NO2-isoquinoline, 5-nitro isoquinoline, 5-nitroisochinolin. |
| Q: What are the upstream materials of 5-Nitroisoquinoline? |
| A: Related upstream materials(CAS) of 5-Nitroisoquinoline: 119-65-3;118798-90-6;57554-78-6;708-14-5;108-24-7;7664-93-9;7697-37-2. |
| Q: What are the downstream products of 5-Nitroisoquinoline? |
| A: Related downstream products(CAS) of 5-Nitroisoquinoline: 109571-88-2;109571-87-1;109571-89-3;111493-33-5;41959-45-9;46492-08-4;296776-08-4;27536-05-6;27461-33-2;603-11-2. |
| Q: What is the molecular formula of 5-Nitroisoquinoline? |
| A: Molecular formula of 5-Nitroisoquinoline is C9H6N2O2. |
| Q: What is the CAS number of 5-Nitroisoquinoline? |
| A: CAS number of 5-Nitroisoquinoline is 607-32-9. |
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. |