4-((4H-1,2,4-Triazol-4-yl)methyl)benzonitrile
4-((4H-1,2,4-Triazol-4-yl)methyl)benzonitrile structure
|
Common Name | 4-((4H-1,2,4-Triazol-4-yl)methyl)benzonitrile | ||
|---|---|---|---|---|
| CAS Number | 112809-27-5 | Molecular Weight | 184.19700 | |
| Density | 1.19g/cm3 | Boiling Point | 412.1ºC at 760mmHg | |
| Molecular Formula | C10H8N4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 203ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-((4H-1,2,4-Triazol-4-yl)methyl)benzonitrile |
|---|---|
| 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 | 1.19g/cm3 |
|---|---|
| Boiling Point | 412.1ºC at 760mmHg |
| Molecular Formula | C10H8N4 |
| Molecular Weight | 184.19700 |
| Flash Point | 203ºC |
| Exact Mass | 184.07500 |
| PSA | 54.50000 |
| LogP | 1.19808 |
| Vapour Pressure | 5.31E-07mmHg at 25°C |
| Index of Refraction | 1.642 |
| InChIKey | BCSZNBYWPPFADT-UHFFFAOYSA-N |
| SMILES | N#Cc1ccc(Cn2cnnc2)cc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xn |
|---|---|
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~%
4-((4H-1,2,4-Tr... CAS#:112809-27-5
Learn More
|
| Literature: WO2005/47269 A1, ; Page/Page column 7-8 ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 2 | |
CAS#:112809-52-6
CAS#:112809-51-5This 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 collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-(1,2,4-triazol-4-ylmethyl)benzonitrile |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 4-((4H-1,2,4-Triazol-4-yl)methyl)benzonitrile? |
| A: InChIKey of 4-((4H-1,2,4-Triazol-4-yl)methyl)benzonitrile is BCSZNBYWPPFADT-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 4-((4H-1,2,4-Triazol-4-yl)methyl)benzonitrile? |
| A: Molecular weight of 4-((4H-1,2,4-Triazol-4-yl)methyl)benzonitrile is 184.19700. |
| Q: What is the English name of 4-((4H-1,2,4-Triazol-4-yl)methyl)benzonitrile? |
| A: The English name of 4-((4H-1,2,4-Triazol-4-yl)methyl)benzonitrile is 4-((4H-1,2,4-Triazol-4-yl)methyl)benzonitrile. |
| Q: What is the LogP of 4-((4H-1,2,4-Triazol-4-yl)methyl)benzonitrile? |
| A: LogP of 4-((4H-1,2,4-Triazol-4-yl)methyl)benzonitrile is 1.19808. |
| Q: What is the SMILES notation of 4-((4H-1,2,4-Triazol-4-yl)methyl)benzonitrile? |
| A: SMILES notation of 4-((4H-1,2,4-Triazol-4-yl)methyl)benzonitrile is N#Cc1ccc(Cn2cnnc2)cc1. |
| Q: What is the molecular formula of 4-((4H-1,2,4-Triazol-4-yl)methyl)benzonitrile? |
| A: Molecular formula of 4-((4H-1,2,4-Triazol-4-yl)methyl)benzonitrile is C10H8N4. |
| Q: What is the boiling point of 4-((4H-1,2,4-Triazol-4-yl)methyl)benzonitrile? |
| A: Boiling point of 4-((4H-1,2,4-Triazol-4-yl)methyl)benzonitrile is 412.1ºC at 760mmHg. |
| Q: What is the polar surface area (PSA) of 4-((4H-1,2,4-Triazol-4-yl)methyl)benzonitrile? |
| A: Polar surface area (PSA) of 4-((4H-1,2,4-Triazol-4-yl)methyl)benzonitrile is 54.50000. |
| Q: What English synonyms does 4-((4H-1,2,4-Triazol-4-yl)methyl)benzonitrile have? |
| A: English synonyms of 4-((4H-1,2,4-Triazol-4-yl)methyl)benzonitrile: 4-(1,2,4-triazol-4-ylmethyl)benzonitrile. |
| Q: What is the CAS number of 4-((4H-1,2,4-Triazol-4-yl)methyl)benzonitrile? |
| A: CAS number of 4-((4H-1,2,4-Triazol-4-yl)methyl)benzonitrile is 112809-27-5. |
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. |