4-PHENYL-4H-1,2,4-TRIAZOLE
4-PHENYL-4H-1,2,4-TRIAZOLE structure
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Common Name | 4-PHENYL-4H-1,2,4-TRIAZOLE | ||
|---|---|---|---|---|
| CAS Number | 16227-12-6 | Molecular Weight | 145.16100 | |
| Density | 1.16 g/cm3 | Boiling Point | 292.3ºC at 760 mmHg | |
| Molecular Formula | C8H7N3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 130.6ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-phenyl-1,2,4-triazole |
|---|---|
| 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 | 1.16 g/cm3 |
|---|---|
| Boiling Point | 292.3ºC at 760 mmHg |
| Molecular Formula | C8H7N3 |
| Molecular Weight | 145.16100 |
| Flash Point | 130.6ºC |
| Exact Mass | 145.06400 |
| PSA | 30.71000 |
| LogP | 1.26730 |
| Vapour Pressure | 0.00184mmHg at 25°C |
| Index of Refraction | 1.632 |
| InChIKey | YAHHNSBXSDGEFB-UHFFFAOYSA-N |
| SMILES | c1ccc(-n2cnnc2)cc1 |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933990090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
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| DownStream 2 | |
CAS#:591-50-4
CAS#:288-88-0
CAS#:628-36-4
CAS#:624-84-0
CAS#:103-72-0
CAS#:177028-40-9
CAS#:5373-72-8
CAS#:103-70-8
CAS#:73045-92-8This 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: Inhibition of recombinant human IDO1 expressed in Escherichia coli Rosetta (DE3) cell...
Source: ChEMBL
Target: Indoleamine 2,3-dioxygenase 1
External Id: CHEMBL4834557
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Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
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Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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Name: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-phenyl-4H-1,2,4-triazine |
| 1-phenyl 1,3,4-triazole |
| 4-benzene-1,2,4-triazole |
| 4-Phenyl-1H-1,2,4-triazole |
| 1H-1,2,4-Triazole,4-phenyl |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of 4-phenyl-1,2,4-triazole? |
| A: Molecular weight of 4-phenyl-1,2,4-triazole is 145.16100. |
| Q: What is the molecular formula of 4-phenyl-1,2,4-triazole? |
| A: Molecular formula of 4-phenyl-1,2,4-triazole is C8H7N3. |
| Q: What is the InChIKey of 4-phenyl-1,2,4-triazole? |
| A: InChIKey of 4-phenyl-1,2,4-triazole is YAHHNSBXSDGEFB-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 4-phenyl-1,2,4-triazole? |
| A: Polar surface area (PSA) of 4-phenyl-1,2,4-triazole is 30.71000. |
| Q: What is the CAS number of 4-phenyl-1,2,4-triazole? |
| A: CAS number of 4-phenyl-1,2,4-triazole is 16227-12-6. |
| Q: What is the LogP of 4-phenyl-1,2,4-triazole? |
| A: LogP of 4-phenyl-1,2,4-triazole is 1.26730. |
| Q: What are the downstream products of 4-phenyl-1,2,4-triazole? |
| A: Related downstream products(CAS) of 4-phenyl-1,2,4-triazole: 288-88-0;73045-92-8. |
| Q: What are the upstream materials of 4-phenyl-1,2,4-triazole? |
| A: Related upstream materials(CAS) of 4-phenyl-1,2,4-triazole: 591-50-4;288-88-0;628-36-4;624-84-0;103-72-0;177028-40-9;5373-72-8;103-70-8. |
| Q: What is the SMILES notation of 4-phenyl-1,2,4-triazole? |
| A: SMILES notation of 4-phenyl-1,2,4-triazole is c1ccc(-n2cnnc2)cc1. |
| Q: What English synonyms does 4-phenyl-1,2,4-triazole have? |
| A: English synonyms of 4-phenyl-1,2,4-triazole: 4-phenyl-4H-1,2,4-triazine, 1-phenyl 1,3,4-triazole, 4-benzene-1,2,4-triazole, 4-Phenyl-1H-1,2,4-triazole, 1H-1,2,4-Triazole,4-phenyl. |
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. |