3-cyano-5-(trifluoromethyl)benzoic acid
3-cyano-5-(trifluoromethyl)benzoic acid structure
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Common Name | 3-cyano-5-(trifluoromethyl)benzoic acid | ||
|---|---|---|---|---|
| CAS Number | 942077-16-9 | Molecular Weight | 215.12900 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C9H4F3NO2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-cyano-5-(trifluoromethyl)benzoic acid |
|---|---|
| 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 | C9H4F3NO2 |
|---|---|
| Molecular Weight | 215.12900 |
| Exact Mass | 215.01900 |
| PSA | 61.09000 |
| LogP | 2.27528 |
| InChIKey | CILFQQDMSXNYDM-UHFFFAOYSA-N |
| SMILES | N#Cc1cc(C(=O)O)cc(C(F)(F)F)c1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~98%
3-cyano-5-(trif... CAS#:942077-16-9 |
| Literature: F. HOFFMANN-LA ROCHE AG; BISSANTZ, Caterina; DEHMLOW, Henrietta; ERICKSON, Shawn David; KARNACHI, Prabha Saba; KIM, Kyungjin; MARTIN, Rainerm, E.; MATTEI, Patrizio; OBST SANDER, Ulrike; PIETRANICO-COLE, Sherrie Lynn; RICHTER, Hans; ULLMER, Christoph Patent: WO2012/117000 A1, 2012 ; Location in patent: Page/Page column 197 ; |
|
~84%
3-cyano-5-(trif... CAS#:942077-16-9 |
| Literature: KOWA COMPANY, LTD. Patent: US2009/82352 A1, 2009 ; Location in patent: Page/Page column 28 ; US 20090082352 A1 |
|
~25%
3-cyano-5-(trif... CAS#:942077-16-9 |
| Literature: BAYER INTELLECTUAL PROPERTY GMBH; SÜßMEIER, Frank; LOBELL, Mario; GRÜNEWALD, Sylvia; HÄRTER, Michael; BUCHMANN, Bernd; TELSER, Joachim; JÖRIßEN, Hannah; HEROULT, Melanie; KAHNERT, Antje; LUSTIG, Klemens; LINDNER, Niels Patent: US2013/190290 A1, 2013 ; Location in patent: Paragraph 0850; 0851; 0852; 0853 ; |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-cyano-5-trifluoromethylbenzoic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 3-cyano-5-(trifluoromethyl)benzoic acid? |
| A: LogP of 3-cyano-5-(trifluoromethyl)benzoic acid is 2.27528. |
| Q: What is the SMILES notation of 3-cyano-5-(trifluoromethyl)benzoic acid? |
| A: SMILES notation of 3-cyano-5-(trifluoromethyl)benzoic acid is N#Cc1cc(C(=O)O)cc(C(F)(F)F)c1. |
| Q: What English synonyms does 3-cyano-5-(trifluoromethyl)benzoic acid have? |
| A: English synonyms of 3-cyano-5-(trifluoromethyl)benzoic acid: 3-cyano-5-trifluoromethylbenzoic acid. |
| Q: What is the English name of 3-cyano-5-(trifluoromethyl)benzoic acid? |
| A: The English name of 3-cyano-5-(trifluoromethyl)benzoic acid is 3-cyano-5-(trifluoromethyl)benzoic acid. |
| Q: What is the polar surface area (PSA) of 3-cyano-5-(trifluoromethyl)benzoic acid? |
| A: Polar surface area (PSA) of 3-cyano-5-(trifluoromethyl)benzoic acid is 61.09000. |
| Q: What is the molecular weight of 3-cyano-5-(trifluoromethyl)benzoic acid? |
| A: Molecular weight of 3-cyano-5-(trifluoromethyl)benzoic acid is 215.12900. |
| Q: What is the CAS number of 3-cyano-5-(trifluoromethyl)benzoic acid? |
| A: CAS number of 3-cyano-5-(trifluoromethyl)benzoic acid is 942077-16-9. |
| Q: What is the molecular formula of 3-cyano-5-(trifluoromethyl)benzoic acid? |
| A: Molecular formula of 3-cyano-5-(trifluoromethyl)benzoic acid is C9H4F3NO2. |
| Q: What is the InChIKey of 3-cyano-5-(trifluoromethyl)benzoic acid? |
| A: InChIKey of 3-cyano-5-(trifluoromethyl)benzoic acid is CILFQQDMSXNYDM-UHFFFAOYSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |