1-Benzyl-1H-benzo[d][1,2,3]triazole
![1-Benzyl-1H-benzo[d][1,2,3]triazole Structure](https://image.chemsrc.com/caspic/474/4706-43-8.png)
1-Benzyl-1H-benzo[d][1,2,3]triazole structure
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Common Name | 1-Benzyl-1H-benzo[d][1,2,3]triazole | ||
|---|---|---|---|---|
| CAS Number | 4706-43-8 | Molecular Weight | 209.247 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 400.9±24.0 °C at 760 mmHg | |
| Molecular Formula | C13H11N3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 196.3±22.9 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-benzylbenzotriazole |
|---|---|
| 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 | 400.9±24.0 °C at 760 mmHg |
| Molecular Formula | C13H11N3 |
| Molecular Weight | 209.247 |
| Flash Point | 196.3±22.9 °C |
| Exact Mass | 209.095291 |
| PSA | 30.71000 |
| LogP | 2.92 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.656 |
| InChIKey | OQVSPZZIBWDHOF-UHFFFAOYSA-N |
| SMILES | c1ccc(Cn2nnc3ccccc32)cc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen 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: 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: 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: 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: 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.
| 1H-Benzotriazole,1-benzyl |
| (phenylmethyl)-1H-benzotriazole |
| 1-benzyl-1H-benzo[d][1,2,3]triazole |
| 1-benzyl-1H-benzo[1,2,3]-triazole |
| benzyl-1H-benzotriazole |
| 1H-Benzotriazole,1-(phenylmethyl) |
| 1-(phenylmethyl)benzotriazole |
| 1-Benzyl-1H-1,2,3-benzotriazole |
| 1-Benzyl-1H-benzotriazole |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of 1-benzylbenzotriazole? |
| A: CAS number of 1-benzylbenzotriazole is 4706-43-8. |
| Q: What is the molecular formula of 1-benzylbenzotriazole? |
| A: Molecular formula of 1-benzylbenzotriazole is C13H11N3. |
| Q: What is the SMILES notation of 1-benzylbenzotriazole? |
| A: SMILES notation of 1-benzylbenzotriazole is c1ccc(Cn2nnc3ccccc32)cc1. |
| Q: What is the InChIKey of 1-benzylbenzotriazole? |
| A: InChIKey of 1-benzylbenzotriazole is OQVSPZZIBWDHOF-UHFFFAOYSA-N. |
| Q: What is the LogP of 1-benzylbenzotriazole? |
| A: LogP of 1-benzylbenzotriazole is 2.92. |
| Q: What is the English name of 1-benzylbenzotriazole? |
| A: The English name of 1-benzylbenzotriazole is 1-benzylbenzotriazole. |
| Q: What English synonyms does 1-benzylbenzotriazole have? |
| A: English synonyms of 1-benzylbenzotriazole: 1H-Benzotriazole,1-benzyl, (phenylmethyl)-1H-benzotriazole, 1-benzyl-1H-benzo[d][1,2,3]triazole, 1-benzyl-1H-benzo[1,2,3]-triazole, benzyl-1H-benzotriazole, 1H-Benzotriazole,1-(phenylmethyl), 1-(phenylmethyl)benzotriazole, 1-Benzyl-1H-1,2,3-benzotriazole, 1-Benzyl-1H-benzotriazole. |
| Q: What is the boiling point of 1-benzylbenzotriazole? |
| A: Boiling point of 1-benzylbenzotriazole is 400.9±24.0 °C at 760 mmHg. |
| Q: What is the polar surface area (PSA) of 1-benzylbenzotriazole? |
| A: Polar surface area (PSA) of 1-benzylbenzotriazole is 30.71000. |
| Q: What is the molecular weight of 1-benzylbenzotriazole? |
| A: Molecular weight of 1-benzylbenzotriazole is 209.247. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |