2-Amino-3-(trifluoromethyl)benzoic acid
2-Amino-3-(trifluoromethyl)benzoic acid structure
|
Common Name | 2-Amino-3-(trifluoromethyl)benzoic acid | ||
|---|---|---|---|---|
| CAS Number | 313-12-2 | Molecular Weight | 205.134 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 296.9±40.0 °C at 760 mmHg | |
| Molecular Formula | C8H6F3NO2 | Melting Point | 157-160 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 133.3±27.3 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Amino-3-(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.
| Density | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 296.9±40.0 °C at 760 mmHg |
| Melting Point | 157-160 °C(lit.) |
| Molecular Formula | C8H6F3NO2 |
| Molecular Weight | 205.134 |
| Flash Point | 133.3±27.3 °C |
| Exact Mass | 205.035065 |
| PSA | 63.32000 |
| LogP | 3.17 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.528 |
| InChIKey | UNLVJVQEDSDPIN-UHFFFAOYSA-N |
| SMILES | Nc1c(C(=O)O)cccc1C(F)(F)F |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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2-Amino-3-(trif... CAS#:313-12-2 |
| Literature: Proceedings of the Royal Society of London, Series B: Biological Sciences, , vol. 148, p. 481,488 Journal of Organic Chemistry, , vol. 22, p. 29,32 |
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2-Amino-3-(trif... CAS#:313-12-2 |
| Literature: European Journal of Medicinal Chemistry, , vol. 29, # 10 p. 743 - 751 |
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2-Amino-3-(trif... CAS#:313-12-2
Learn More
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| Literature: Angewandte Chemie, , vol. 93, # 10 p. 914 - 915 |
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2-Amino-3-(trif... CAS#:313-12-2 |
| Literature: DE693610 , ; DRP/DRBP Org.Chem. |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 8 | |
CAS#:39226-97-6
CAS#:39226-96-5
CAS#:766473-89-6
CAS#:80777-35-1
CAS#:80777-38-4
CAS#:59197-86-3
CAS#:39959-94-9This table lists relevant public references with title, journal and publication metadata for this compound.
|
Eur. J. Med. Chem. 29 , 743, (1994)
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-trifluoromethyl-2-aminobenzoic acid |
| 2-amino-3-trifluoromethyl-benzoic acid |
| 2-Amino-3-(trifluoromethyl)benzoic acid |
| MFCD00274210 |
| 2-AMINO-3-(TRIFLUOROMETHYL)BENZOICACID |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 2-Amino-3-(trifluoromethyl)benzoic acid? |
| A: LogP of 2-Amino-3-(trifluoromethyl)benzoic acid is 3.17. |
| Q: What is the polar surface area (PSA) of 2-Amino-3-(trifluoromethyl)benzoic acid? |
| A: Polar surface area (PSA) of 2-Amino-3-(trifluoromethyl)benzoic acid is 63.32000. |
| Q: What is the InChIKey of 2-Amino-3-(trifluoromethyl)benzoic acid? |
| A: InChIKey of 2-Amino-3-(trifluoromethyl)benzoic acid is UNLVJVQEDSDPIN-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 2-Amino-3-(trifluoromethyl)benzoic acid? |
| A: Molecular weight of 2-Amino-3-(trifluoromethyl)benzoic acid is 205.134. |
| Q: What are the upstream materials of 2-Amino-3-(trifluoromethyl)benzoic acid? |
| A: Related upstream materials(CAS) of 2-Amino-3-(trifluoromethyl)benzoic acid: 391-12-8;444-93-9;67-56-1;386-71-0. |
| Q: What are the downstream products of 2-Amino-3-(trifluoromethyl)benzoic acid? |
| A: Related downstream products(CAS) of 2-Amino-3-(trifluoromethyl)benzoic acid: 39226-97-6;39226-96-5;64321-95-5;766473-89-6;80777-35-1;80777-38-4;59197-86-3;39959-94-9. |
| Q: What is the melting point of 2-Amino-3-(trifluoromethyl)benzoic acid? |
| A: Melting point of 2-Amino-3-(trifluoromethyl)benzoic acid is 157-160 °C(lit.). |
| Q: What is the molecular formula of 2-Amino-3-(trifluoromethyl)benzoic acid? |
| A: Molecular formula of 2-Amino-3-(trifluoromethyl)benzoic acid is C8H6F3NO2. |
| Q: What is the English name of 2-Amino-3-(trifluoromethyl)benzoic acid? |
| A: The English name of 2-Amino-3-(trifluoromethyl)benzoic acid is 2-Amino-3-(trifluoromethyl)benzoic acid. |
| Q: What English synonyms does 2-Amino-3-(trifluoromethyl)benzoic acid have? |
| A: English synonyms of 2-Amino-3-(trifluoromethyl)benzoic acid: 3-trifluoromethyl-2-aminobenzoic acid, 2-amino-3-trifluoromethyl-benzoic acid, 2-Amino-3-(trifluoromethyl)benzoic acid, MFCD00274210, 2-AMINO-3-(TRIFLUOROMETHYL)BENZOICACID. |
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. |