1-Phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one
1-Phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one structure
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Common Name | 1-Phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one | ||
|---|---|---|---|---|
| CAS Number | 4231-68-9 | Molecular Weight | 161.161 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 392.2±25.0 °C at 760 mmHg | |
| Molecular Formula | C8H7N3O | Melting Point | 277-280 | |
| MSDS | N/A | Flash Point | 191.0±23.2 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one |
|---|---|
| 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 | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 392.2±25.0 °C at 760 mmHg |
| Melting Point | 277-280 |
| Molecular Formula | C8H7N3O |
| Molecular Weight | 161.161 |
| Flash Point | 191.0±23.2 °C |
| Exact Mass | 161.058914 |
| PSA | 50.94000 |
| LogP | 1.45 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.665 |
| InChIKey | QCDMYEHBRNFUQG-UHFFFAOYSA-N |
| SMILES | O=c1ncn(-c2ccccc2)[nH]1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi: Irritant; |
|---|---|
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~%
1-Phenyl-1,2-di... CAS#:4231-68-9 |
| Literature: Hoechst Aktiengesellschaft Patent: US4467098 A1, 1984 ; |
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~%
1-Phenyl-1,2-di... CAS#:4231-68-9 |
| Literature: Hoechst Aktiengesellschaft Patent: US4467098 A1, 1984 ; |
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~88%
1-Phenyl-1,2-di... CAS#:4231-68-9 |
| Literature: Beck, James R.; Babbitt, George E.; Lynch, Michael P. Journal of Heterocyclic Chemistry, 1988 , vol. 25, p. 1467 - 1470 |
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~%
1-Phenyl-1,2-di... CAS#:4231-68-9 |
| Literature: Wan, Kun; Zhou, Cheng-He Bulletin of the Korean Chemical Society, 2010 , vol. 31, # 7 p. 2003 - 2010 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 1 | |
CAS#:554-68-7This 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: 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
|
|
Name: Chemical Probes of Kaposi's Sarcoma Herpes Virus Latent Infection
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: ORF 73 [Human herpesvirus 8 type M]
External Id: HMS791
|
|
Name: High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS1303
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| EINECS 224-187-5 |
| 1-Phenyl-1H-1,2,4-triazol-3-ol |
| 1-Phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one |
| MFCD00138713 |
| 3-Hydroxy-1-phenyl-1,2,4-triazole |
| 1-PHENYL-3-HYDROXYL-1,2,4-TRIAZOLE |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one? |
| A: Polar surface area (PSA) of 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one is 50.94000. |
| Q: What is the SMILES notation of 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one? |
| A: SMILES notation of 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one is O=c1ncn(-c2ccccc2)[nH]1. |
| Q: What is the boiling point of 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one? |
| A: Boiling point of 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one is 392.2±25.0 °C at 760 mmHg. |
| Q: What are the downstream products of 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one? |
| A: Related downstream products(CAS) of 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one: 554-68-7. |
| Q: What is the melting point of 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one? |
| A: Melting point of 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one is 277-280. |
| Q: What is the molecular formula of 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one? |
| A: Molecular formula of 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one is C8H7N3O. |
| Q: What is the InChIKey of 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one? |
| A: InChIKey of 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one is QCDMYEHBRNFUQG-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one? |
| A: Molecular weight of 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one is 161.161. |
| Q: What is the English name of 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one? |
| A: The English name of 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one is 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one. |
| Q: What is the CAS number of 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one? |
| A: CAS number of 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one is 4231-68-9. |
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. |