2H-Tetrazole,5-[4-(trifluoromethyl)phenyl]
![2H-Tetrazole,5-[4-(trifluoromethyl)phenyl] Structure](https://image.chemsrc.com/caspic/014/2251-79-8.png)
2H-Tetrazole,5-[4-(trifluoromethyl)phenyl] structure
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Common Name | 2H-Tetrazole,5-[4-(trifluoromethyl)phenyl] | ||
|---|---|---|---|---|
| CAS Number | 2251-79-8 | Molecular Weight | 214.14700 | |
| Density | 1.464g/cm3 | Boiling Point | 315.2ºC at 760mmHg | |
| Molecular Formula | C8H5F3N4 | Melting Point | 226°C | |
| MSDS | N/A | Flash Point | 144.4ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole |
|---|---|
| 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 | 1.464g/cm3 |
|---|---|
| Boiling Point | 315.2ºC at 760mmHg |
| Melting Point | 226°C |
| Molecular Formula | C8H5F3N4 |
| Molecular Weight | 214.14700 |
| Flash Point | 144.4ºC |
| Exact Mass | 214.04700 |
| PSA | 54.46000 |
| LogP | 1.88550 |
| InChIKey | CCVCHQBLMDMSNN-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1ccc(-c2nn[nH]n2)cc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi: Irritant; |
|---|---|
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36/37/39 |
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~98%
2H-Tetrazole,5-... CAS#:2251-79-8 |
| Literature: Sharghi, Hashem; Ebrahimpourmoghaddam, Sakineh; Doroodmand, Mohammad Mahdi Journal of Organometallic Chemistry, 2013 , vol. 738, p. 41 - 48 |
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~60%
2H-Tetrazole,5-... CAS#:2251-79-8 |
| Literature: Sridhar, Madabhushi; Mallu, Kishore Kumar Reddy; Jillella, Raveendra; Godala, Kondalreddy; Beeram, Chinaramanaiah; Chinthala, Narsaiah Synthesis (Germany), 2013 , vol. 45, # 4 art. no. SS-2012-Z0887-OP, p. 507 - 510 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
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: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5-[4-(Trifluoromethyl)Phenyl]-2H-1,2,3,4-Tetrazole |
| 5-(4'-(trifluoromethyl)phenyl)tetrazole |
| 5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole |
| MFCD00052525 |
| 5-(4-trifluoromethylphenyl)-1H-tetrazol |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole have? |
| A: English synonyms of 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole: 5-[4-(Trifluoromethyl)Phenyl]-2H-1,2,3,4-Tetrazole, 5-(4'-(trifluoromethyl)phenyl)tetrazole, 5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole, MFCD00052525, 5-(4-trifluoromethylphenyl)-1H-tetrazol. |
| Q: What is the SMILES notation of 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole? |
| A: SMILES notation of 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole is FC(F)(F)c1ccc(-c2nn[nH]n2)cc1. |
| Q: What is the InChIKey of 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole? |
| A: InChIKey of 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole is CCVCHQBLMDMSNN-UHFFFAOYSA-N. |
| Q: What is the safety information for 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole? |
| A: Safety information for 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole: S26-S36/37/39. |
| Q: What is the CAS number of 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole? |
| A: CAS number of 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole is 2251-79-8. |
| Q: What is the melting point of 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole? |
| A: Melting point of 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole is 226°C. |
| Q: What is the molecular weight of 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole? |
| A: Molecular weight of 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole is 214.14700. |
| Q: What is the LogP of 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole? |
| A: LogP of 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole is 1.88550. |
| Q: What is the polar surface area (PSA) of 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole? |
| A: Polar surface area (PSA) of 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole is 54.46000. |
| Q: What is the boiling point of 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole? |
| A: Boiling point of 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole is 315.2ºC at 760mmHg. |
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. |