5-Nitroquinoline
5-Nitroquinoline structure
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Common Name | 5-Nitroquinoline | ||
|---|---|---|---|---|
| CAS Number | 607-34-1 | Molecular Weight | 174.156 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 323.1±17.0 °C at 760 mmHg | |
| Molecular Formula | C9H6N2O2 | Melting Point | 71-73 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 149.2±20.9 °C | |
| Symbol |
GHS07, GHS08 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-Nitroquinoline |
|---|---|
| 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 | 323.1±17.0 °C at 760 mmHg |
| Melting Point | 71-73 °C(lit.) |
| Molecular Formula | C9H6N2O2 |
| Molecular Weight | 174.156 |
| Flash Point | 149.2±20.9 °C |
| Exact Mass | 174.042923 |
| PSA | 58.71000 |
| LogP | 1.86 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.682 |
| InChIKey | NDDZXHOCOKCNBM-UHFFFAOYSA-N |
| SMILES | O=[N+]([O-])c1cccc2ncccc12 |
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 DATAMUTATION DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07, GHS08 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302-H312-H332-H351 |
| Precautionary Statements | P280 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R36/37/38;R40;R68 |
| Safety Phrases | S7-S22-S36-S45-S36/37/39-S26 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | VC1850000 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~37%
5-Nitroquinoline CAS#:607-34-1 |
| Literature: European Journal of Medicinal Chemistry, , vol. 54, p. 75 - 86 |
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~0%
5-Nitroquinoline CAS#:607-34-1
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| Literature: Sharma; Kumari; Singh Synthesis, 1981 , vol. No.4, p. 316 - 318 |
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5-Nitroquinoline CAS#:607-34-1
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| Literature: Tetrahedron Letters, , vol. 37, # 4 p. 513 - 516 |
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Detail
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| Literature: Journal of the Chemical Society, , vol. 61, p. 788 Chemische Berichte, , vol. 18, p. 1243 Journal fuer Praktische Chemie (Leipzig), , vol. <2> 53, p. 392 Journal fuer Praktische Chemie (Leipzig), , vol. <2> 77, p. 473 Chemische Berichte, , vol. 23, p. 3655 Chemische Berichte, , vol. 12, p. 449 |
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~%
5-Nitroquinoline CAS#:607-34-1
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| Literature: Chemische Berichte, , vol. 38, p. 1154 Chemische Berichte, , vol. 38, p. 1277 |
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Detail
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| Literature: Chemische Berichte, , vol. 18, p. 1243 Journal fuer Praktische Chemie (Leipzig), , vol. <2> 53, p. 198 Chemische Berichte, , vol. 41, p. 1736 Chemische Berichte, , vol. 39, p. 3648 |
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~%
5-Nitroquinoline CAS#:607-34-1 |
| Literature: Journal of the Chemical Society, , vol. 61, p. 788 |
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~%
Detail
Learn More
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| Literature: Journal fuer Praktische Chemie (Leipzig), , vol. <2> 63, p. 573,576 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 10 | |
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CAS#:13207-66-4This table lists relevant public references with title, journal and publication metadata for this compound.
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Prediction of Setschenow constants of N-heteroaromatics in NaCl solutions based on the partial charge on the heterocyclic nitrogen atom.
Environ. Sci. Pollut. Res. Int. 23 , 3399-405, (2016) The solubilities of 19 different kinds of N-heteroaromatic compounds in aqueous solutions with different concentrations of NaCl were determined at 298.15 K with a UV-vis spectrophotometry and titratio... |
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The use of silver solid amalgam electrodes for voltammetric and amperometric determination of nitrated polyaromatic compounds used as markers of incomplete combustion.
ScientificWorldJournal 2012 , 231986, (2012) Genotoxic nitrated polycyclic aromatic hydrocarbons (NPAHs) are formed during incomplete combustion processes by reaction of polycyclic aromatic hydrocarbons (PAHs) with atmospheric nitrogen oxides. 1... |
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Oxygen dependence of the cytotoxicity and metabolic activation of 4-alkylamino-5-nitroquinoline bioreductive drugs.
Br. J. Cancer 70(4) , 596-603, (1994) The cytotoxic potency of 4-alkylamino-5-nitroquinoline drugs in AA8 cell cultures is enhanced up to 60-fold under hypoxia, with wide variations in selectivity for hypoxic cells observed for different ... |
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: 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: 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 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: Absorbance-based primary biochemical high throughput screening assay to identify acti...
Source: The Scripps Research Institute Molecular Screening Center
Target: caspase-3 preproprotein [Homo sapiens]
External Id: PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| QUINOLINE,5-NITRO |
| 5-Nitro-quinoline |
| MFCD00006790 |
| EINECS 210-134-3 |
| 5-Nitroquinoline |
| 5-Nitro-chinolin |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the melting point of 5-Nitroquinoline? |
| A: Melting point of 5-Nitroquinoline is 71-73 °C(lit.). |
| Q: What is the CAS number of 5-Nitroquinoline? |
| A: CAS number of 5-Nitroquinoline is 607-34-1. |
| Q: What is the InChIKey of 5-Nitroquinoline? |
| A: InChIKey of 5-Nitroquinoline is NDDZXHOCOKCNBM-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 5-Nitroquinoline? |
| A: SMILES notation of 5-Nitroquinoline is O=[N+]([O-])c1cccc2ncccc12. |
| Q: What is the English name of 5-Nitroquinoline? |
| A: The English name of 5-Nitroquinoline is 5-Nitroquinoline. |
| Q: What is the polar surface area (PSA) of 5-Nitroquinoline? |
| A: Polar surface area (PSA) of 5-Nitroquinoline is 58.71000. |
| Q: What is the molecular formula of 5-Nitroquinoline? |
| A: Molecular formula of 5-Nitroquinoline is C9H6N2O2. |
| Q: What is the LogP of 5-Nitroquinoline? |
| A: LogP of 5-Nitroquinoline is 1.86. |
| Q: What is the boiling point of 5-Nitroquinoline? |
| A: Boiling point of 5-Nitroquinoline is 323.1±17.0 °C at 760 mmHg. |
| Q: What is the safety information for 5-Nitroquinoline? |
| A: Safety information for 5-Nitroquinoline: S7-S22-S36-S45-S36/37/39-S26. |
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. |