4-Aminobenzotrifluoride CAS 455-14-1
Introduction：Basic information about 4-Aminobenzotrifluoride CAS 455-14-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4-Aminobenzotrifluoride Basic information
| Product Name: | 4-Aminobenzotrifluoride |
| Synonyms: | TIMTEC-BB SBB003956;P-(TRIFLUOROMETHYL)ANILINE;P-AMINOBENZOTRIFLUORIDE;1-AMINO-4-(TRIFLUOROMETHYL)BENZENE;4-(TRIFLUOROMETHYL)ANILINE;4-AMINOBENZOTRIFLUORIDE;4-AMINO-A,A,A-TRIFLUOROTOLUENE;A,A,A-TRIFLUORO-P-TOLUIDINE |
| CAS: | 455-14-1 |
| MF: | C7H6F3N |
| MW: | 161.12 |
| EINECS: | 207-236-5 |
| Product Categories: | API intermediates;Fluorochemicals;Pharmaceutical Intermediate;Anilines, Aromatic Amines and Nitro Compounds;amine;Amines;Aromatics;Mutagenesis Research Chemicals;bc0001;455-14-1 |
| Mol File: | 455-14-1.mol |
4-Aminobenzotrifluoride Chemical Properties
| Melting point | 3-8 °C |
| Boiling point | 83 °C12 mm Hg(lit.) |
| density | 1.283 g/mL at 25 °C(lit.) |
| refractive index | n |
| Fp | 188 °F |
| storage temp. | Keep in dark place,Inert atmosphere,2-8°C |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Liquid |
| pka | 2.45(at 25℃) |
| Specific Gravity | 1.283 |
| color | Clear colorless to yellow |
| Water Solubility | <0.1 g/100 mL |
| Sensitive | Air Sensitive |
| BRN | 1564853 |
| InChI | 1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2 |
| InChIKey | ODGIMMLDVSWADK-UHFFFAOYSA-N |
| SMILES | Nc1ccc(cc1)C(F)(F)F |
| LogP | 1.95 at 20℃ |
| CAS DataBase Reference | 455-14-1(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzenamine, 4-(trifluoromethyl)-(455-14-1) |
| EPA Substance Registry System | 4-(Trifluoromethyl)aniline (455-14-1) |
Safety Information
| Hazard Codes | T,N,Xi,Xn |
| Risk Statements | 25-36-50/53-36/37/38-33-20/21/22 |
| Safety Statements | 26-45-60-61-36/37/39-36 |
| RIDADR | UN 2810 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | XU9260000 |
| Hazard Note | Toxic/Irritant |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29214300 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Aquatic Acute 1 Aquatic Chronic 1 Eye Dam. 1 |
| Chemical Properties | clear colorless to yellow liquid |
| Uses | 4-Substituted aniline derivatives exert special hematotoxicity on the red blood cells and induce leukocytosis. |
| Uses | 4-(Trifluoromethyl)aniline was used in the synthesis of 4-(trialkylmethyl)anilines. It was also used as a synthetic building block. |
| Definition | ChEBI: A substituted aniline that is a benzene ring substituted with an amino group at position 1 and a trifluoromethyl group at position 4. |
| Synthesis Reference(s) | The Journal of Organic Chemistry, 54, p. 2873, 1989 DOI: 10.1021/jo00273a020 |
| General Description | Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards. |
4-Aminobenzotrifluoride Preparation Products And Raw materials
| Raw materials | Hydrogen fluoride-->4-Chlorobenzaldehyde-->PHOSGENE-->Sodium bromide-->4-Nitrotoluene-->Stannous chloride-->p-Toluidine-->Benzotrichloride-->Phenyl isocyanate-->4-Chlorobenzotrifluoride-->FORMANILIDE-->SODIUM HYPOBROMITE-->nitrotoluene-->1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one-->2-Aminobenzotrifluoride-->6-Ethyl-o-toluidine |
| Preparation Products | 2-CHLORO-4-(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE-->4-TRIFLUOROMETHYL-N-METHYLANILINE 97-->Leflunomide-->ETHYL 4-HYDROXY-6-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLATE-->ETHYL 4-CHLORO-6-(TRIFLUOROMETHYL)-3-QUINOLINECARBOXYLATE-->2,6-BIS(TRIFLUOROMETHYL)-4-HYDROXYQUINOLINE-->4-Amino-3,5-dichlorobenzotrifluoride-->1,4-Bis(trifluoromethyl)-benzene-->TRANS-4-(TRIFLUOROMETHYL)CYCLOHEXANAMINE |
