4-(2H-triazol-4-yl)benzonitrile
4-(2H-triazol-4-yl)benzonitrile structure
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Common Name | 4-(2H-triazol-4-yl)benzonitrile | ||
|---|---|---|---|---|
| CAS Number | 56527-23-2 | Molecular Weight | 170.17100 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C9H6N4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Summary: 4-(2H-triazol-4-yl)benzonitrile, also known as 4-(2H-三唑-4-基)苯氰, has a CAS number of 56527-23-2, with a molecular formula of C9H6N4 and a molecular weight of 170.17100. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-(2H-triazol-4-yl)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.
| Molecular Formula | C9H6N4 |
|---|---|
| Molecular Weight | 170.17100 |
| Exact Mass | 170.05900 |
| PSA | 65.36000 |
| LogP | 1.34338 |
| InChIKey | PVSVXOHABSKBQE-UHFFFAOYSA-N |
| SMILES | N#Cc1ccc(-c2cn[nH]n2)cc1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~87%
4-(2H-triazol-4... CAS#:56527-23-2 |
| Literature: Barluenga, Jose; Valdes, Carlos; Beltran, Gustavo; Escribano, Maria; Aznar, Fernando Angewandte Chemie - International Edition, 2006 , vol. 45, # 41 p. 6893 - 6896 |
|
~86%
4-(2H-triazol-4... CAS#:56527-23-2 |
| Literature: Loren, Jon C.; Krasinski, Antoni; Fokin, Valery V.; Sharpless, K. Barry Synlett, 2005 , # 18 art. no. Y06505ST, p. 2847 - 2850 |
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~%
4-(2H-triazol-4... CAS#:56527-23-2 |
| Literature: Andersen, Jacob; Bolvig, Simon; Liang, Xifu Synlett, 2005 , # 19 art. no. D26505ST, p. 2941 - 2947 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 0 | |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1H-4-p-Cyanophenyl-1,2,3-triazol |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 4-(2H-triazol-4-yl)benzonitrile? |
| A: Molecular formula of 4-(2H-triazol-4-yl)benzonitrile is C9H6N4. |
| Q: What English synonyms does 4-(2H-triazol-4-yl)benzonitrile have? |
| A: English synonyms of 4-(2H-triazol-4-yl)benzonitrile: 1H-4-p-Cyanophenyl-1,2,3-triazol. |
| Q: What is the polar surface area (PSA) of 4-(2H-triazol-4-yl)benzonitrile? |
| A: Polar surface area (PSA) of 4-(2H-triazol-4-yl)benzonitrile is 65.36000. |
| Q: What is the LogP of 4-(2H-triazol-4-yl)benzonitrile? |
| A: LogP of 4-(2H-triazol-4-yl)benzonitrile is 1.34338. |
| Q: What is the molecular weight of 4-(2H-triazol-4-yl)benzonitrile? |
| A: Molecular weight of 4-(2H-triazol-4-yl)benzonitrile is 170.17100. |
| Q: What is the CAS number of 4-(2H-triazol-4-yl)benzonitrile? |
| A: CAS number of 4-(2H-triazol-4-yl)benzonitrile is 56527-23-2. |
| Q: What is the InChIKey of 4-(2H-triazol-4-yl)benzonitrile? |
| A: InChIKey of 4-(2H-triazol-4-yl)benzonitrile is PVSVXOHABSKBQE-UHFFFAOYSA-N. |
| Q: What are the upstream materials of 4-(2H-triazol-4-yl)benzonitrile? |
| A: Related upstream materials(CAS) of 4-(2H-triazol-4-yl)benzonitrile: 60606-71-5;872700-73-7;3032-92-6. |
| Q: What is the SMILES notation of 4-(2H-triazol-4-yl)benzonitrile? |
| A: SMILES notation of 4-(2H-triazol-4-yl)benzonitrile is N#Cc1ccc(-c2cn[nH]n2)cc1. |
| Q: What is the Chinese name of 56527-23-2? |
| A: Chinese name of 56527-23-2 is 56527-23-2. |