4-Chloro-2-(trifluoromethyl)benzonitrile
4-Chloro-2-(trifluoromethyl)benzonitrile structure
|
Common Name | 4-Chloro-2-(trifluoromethyl)benzonitrile | ||
|---|---|---|---|---|
| CAS Number | 320-41-2 | Molecular Weight | 205.564 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 221.0±35.0 °C at 760 mmHg | |
| Molecular Formula | C8H3ClF3N | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 87.5±25.9 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-Chloro-2-(trifluoromethyl)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 | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 221.0±35.0 °C at 760 mmHg |
| Molecular Formula | C8H3ClF3N |
| Molecular Weight | 205.564 |
| Flash Point | 87.5±25.9 °C |
| Exact Mass | 204.990616 |
| PSA | 23.79000 |
| LogP | 3.36 |
| Vapour Pressure | 0.1±0.4 mmHg at 25°C |
| Index of Refraction | 1.485 |
| InChIKey | GRNQHTXPUDZMGB-UHFFFAOYSA-N |
| SMILES | N#Cc1ccc(Cl)cc1C(F)(F)F |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | T: Toxic; |
|---|---|
| RIDADR | UN3276 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 2926909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~64%
4-Chloro-2-(tri... CAS#:320-41-2 |
| Literature: ELI LILLY AND COMPANY Patent: WO2006/44454 A1, 2006 ; Location in patent: Page/Page column 63 ; WO 2006/044454 A1 |
|
~%
4-Chloro-2-(tri... CAS#:320-41-2 |
| Literature: US6107488 A1, ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 3 | |
CAS#:320-43-4
CAS#:654-70-6
CAS#:143782-20-1This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2926909090 |
|---|---|
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-Chloro-α,α,α-trifluoro-o-tolunitrile |
| 4-Chloro-2-trifluoromethylbenzonitrile |
| 4-Chloro-2-(trifluoromethyl)benzonitrile |
| 2-trifluoromethyl-4-chlorobenzonitrile |
| 4-Chlor-2-trifluormethyl-benzonitril |
| 5-Chloro-2-cyanobenzotrifluoride |
| NCR DG BXFFF |
| MFCD00060671 |
| 2-cyano-5-chlorobenzotrifluoride |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 4-Chloro-2-(trifluoromethyl)benzonitrile? |
| A: SMILES notation of 4-Chloro-2-(trifluoromethyl)benzonitrile is N#Cc1ccc(Cl)cc1C(F)(F)F. |
| Q: What is the polar surface area (PSA) of 4-Chloro-2-(trifluoromethyl)benzonitrile? |
| A: Polar surface area (PSA) of 4-Chloro-2-(trifluoromethyl)benzonitrile is 23.79000. |
| Q: What is the molecular weight of 4-Chloro-2-(trifluoromethyl)benzonitrile? |
| A: Molecular weight of 4-Chloro-2-(trifluoromethyl)benzonitrile is 205.564. |
| Q: What are the upstream materials of 4-Chloro-2-(trifluoromethyl)benzonitrile? |
| A: Related upstream materials(CAS) of 4-Chloro-2-(trifluoromethyl)benzonitrile: 23399-77-1;557-21-1;108-20-3. |
| Q: What is the LogP of 4-Chloro-2-(trifluoromethyl)benzonitrile? |
| A: LogP of 4-Chloro-2-(trifluoromethyl)benzonitrile is 3.36. |
| Q: What are the downstream products of 4-Chloro-2-(trifluoromethyl)benzonitrile? |
| A: Related downstream products(CAS) of 4-Chloro-2-(trifluoromethyl)benzonitrile: 320-43-4;654-70-6;143782-20-1. |
| Q: What is the CAS number of 4-Chloro-2-(trifluoromethyl)benzonitrile? |
| A: CAS number of 4-Chloro-2-(trifluoromethyl)benzonitrile is 320-41-2. |
| Q: What is the molecular formula of 4-Chloro-2-(trifluoromethyl)benzonitrile? |
| A: Molecular formula of 4-Chloro-2-(trifluoromethyl)benzonitrile is C8H3ClF3N. |
| Q: What English synonyms does 4-Chloro-2-(trifluoromethyl)benzonitrile have? |
| A: English synonyms of 4-Chloro-2-(trifluoromethyl)benzonitrile: 4-Chloro-α,α,α-trifluoro-o-tolunitrile, 4-Chloro-2-trifluoromethylbenzonitrile, 4-Chloro-2-(trifluoromethyl)benzonitrile, 2-trifluoromethyl-4-chlorobenzonitrile, 4-Chlor-2-trifluormethyl-benzonitril, 5-Chloro-2-cyanobenzotrifluoride, NCR DG BXFFF, MFCD00060671, 2-cyano-5-chlorobenzotrifluoride. |
| Q: What is the boiling point of 4-Chloro-2-(trifluoromethyl)benzonitrile? |
| A: Boiling point of 4-Chloro-2-(trifluoromethyl)benzonitrile is 221.0±35.0 °C at 760 mmHg. |
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. |