ethyl 4-acetamido-3-nitrobenzoate
ethyl 4-acetamido-3-nitrobenzoate structure
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Common Name | ethyl 4-acetamido-3-nitrobenzoate | ||
|---|---|---|---|---|
| CAS Number | 175204-17-8 | Molecular Weight | 252.22300 | |
| Density | 1.336g/cm3 | Boiling Point | 462.3ºC at 760mmHg | |
| Molecular Formula | C11H12N2O5 | Melting Point | 95-97ºC | |
| MSDS | N/A | Flash Point | 233.4ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | ethyl 4-acetamido-3-nitrobenzoate |
|---|---|
| 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 | 1.336g/cm3 |
|---|---|
| Boiling Point | 462.3ºC at 760mmHg |
| Melting Point | 95-97ºC |
| Molecular Formula | C11H12N2O5 |
| Molecular Weight | 252.22300 |
| Flash Point | 233.4ºC |
| Exact Mass | 252.07500 |
| PSA | 101.22000 |
| LogP | 2.32610 |
| Vapour Pressure | 1E-08mmHg at 25°C |
| Index of Refraction | 1.587 |
| InChIKey | AQEATNDLNBFMRO-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1ccc(NC(C)=O)c([N+](=O)[O-])c1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Risk Phrases | 20/21/22 |
|---|---|
| Safety Phrases | 22-36/37/39 |
| HS Code | 2924299090 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 1 | |
CAS#:76918-64-4
CAS#:75-36-5
CAS#:94-09-7
CAS#:5338-44-3
CAS#:937625-32-6This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2924299090 |
|---|---|
| Summary | 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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: 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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-Acetylamino-3-nitro-benzoesaeure-aethylester |
| 4-acetylamino-3-nitro-benzoic acid ethyl ester |
| ethyl 4-acetylamino-3-nitrobenzoate |
| ethyl 4-acetamido-3-nitro-benzoate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the downstream products of ethyl 4-acetamido-3-nitrobenzoate? |
| A: Related downstream products(CAS) of ethyl 4-acetamido-3-nitrobenzoate: 76918-64-4. |
| Q: What is the polar surface area (PSA) of ethyl 4-acetamido-3-nitrobenzoate? |
| A: Polar surface area (PSA) of ethyl 4-acetamido-3-nitrobenzoate is 101.22000. |
| Q: What is the InChIKey of ethyl 4-acetamido-3-nitrobenzoate? |
| A: InChIKey of ethyl 4-acetamido-3-nitrobenzoate is AQEATNDLNBFMRO-UHFFFAOYSA-N. |
| Q: What is the molecular formula of ethyl 4-acetamido-3-nitrobenzoate? |
| A: Molecular formula of ethyl 4-acetamido-3-nitrobenzoate is C11H12N2O5. |
| Q: What is the melting point of ethyl 4-acetamido-3-nitrobenzoate? |
| A: Melting point of ethyl 4-acetamido-3-nitrobenzoate is 95-97ºC. |
| Q: What English synonyms does ethyl 4-acetamido-3-nitrobenzoate have? |
| A: English synonyms of ethyl 4-acetamido-3-nitrobenzoate: 4-Acetylamino-3-nitro-benzoesaeure-aethylester, 4-acetylamino-3-nitro-benzoic acid ethyl ester, ethyl 4-acetylamino-3-nitrobenzoate, ethyl 4-acetamido-3-nitro-benzoate. |
| Q: What is the CAS number of ethyl 4-acetamido-3-nitrobenzoate? |
| A: CAS number of ethyl 4-acetamido-3-nitrobenzoate is 175204-17-8. |
| Q: What is the SMILES notation of ethyl 4-acetamido-3-nitrobenzoate? |
| A: SMILES notation of ethyl 4-acetamido-3-nitrobenzoate is CCOC(=O)c1ccc(NC(C)=O)c([N+](=O)[O-])c1. |
| Q: What is the boiling point of ethyl 4-acetamido-3-nitrobenzoate? |
| A: Boiling point of ethyl 4-acetamido-3-nitrobenzoate is 462.3ºC at 760mmHg. |
| Q: What is the safety information for ethyl 4-acetamido-3-nitrobenzoate? |
| A: Safety information for ethyl 4-acetamido-3-nitrobenzoate: 22-36/37/39. |
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. |