Name | 3-amino-5-bromobenzotrifluoride |
Synonyms | 3-amino-5-bromobenzotrifluoride 3-amino-5-bromotrifluorotoluene 3-Bromo-5-trifluoromethylaniline 3-Amino-5-Bromo Benzo Trifluoride 3-Bromo-5-(trifluoromethyl)aniline 3-BROMO-5-(TRIFLUOROMETHYL)ANILINE 3-Bromo-5-Trifluoromethyl-Phenylamine 3-BROMO-5-TRIFLUOROMETHYL-PHENYLAMINE 3-AMINO-5-BROMO(TRIFLUOROMETHYL)BENZENE BenzenaMine,3-broMo-5-(trifluoroMethyl)- 3-AMino-5-broMobenzotrifluoride[3-BroMo-5-(trifluoroMethyl)aniline] 3-Bromo-5-(trifluoromethyl)aniline, 5-Bromo-alpha,alpha,alpha-trifluoro-m-toluidine |
CAS | 54962-75-3 |
EINECS | 259-412-6 |
InChI | InChI=1/C20H10F26O4/c21-9(22,11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)43)3-5-49-7(47)1-2-8(48)50-6-4-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(44,45)46/h1-2H,3-6H2/b2-1+ |
InChIKey | HJTLKVYOWNTDPF-UHFFFAOYSA-N |
Molecular Formula | C7H5BrF3N |
Molar Mass | 240.02 |
Density | 1.697 g/mL at 25 °C (lit.) |
Boling Point | 220-223 °C (lit.) |
Flash Point | >230°F |
Solubility | Chloroform (Slightly), Methanol (Slightly) |
Vapor Presure | 1.55E-05mmHg at 25°C |
Appearance | White solid |
Color | Colorless to yellow |
pKa | 2.30±0.10(Predicted) |
Storage Condition | Keep in dark place,Inert atmosphere,Room temperature |
Refractive Index | n20/D 1.528(lit.) |
MDL | MFCD00236205 |
Hazard Symbols | Xi - Irritant |
Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
WGK Germany | 3 |
HS Code | 29214300 |
Hazard Note | Irritant |
Hazard Class | 6.1 |
Pharmaceutical intermediate | 3-amino-5-bromotrifluorotoluene is a nilotinib intermediate, nilotinib is a selective tyrosine kinase inhibitor, targeting BCR-ABL kinase, c-KIT and platelet-derived growth factor receptor (PDGFR); it has no activity against the SRC family. Nilotinib inhibits BCR-ABL-mediated proliferation of leukemia cell lines by binding to BCR-ABL ATP binding sites and inhibiting tyrosine kinase activity, with activity against imatinib-resistant BCR-ABL kinase mutations. Nilotinib is used to treat newly diagnosed Philadelphia chromosome positive (Ph) chronic myeloid leukemia (CML) in children and adults ≥ 1 year of chronic phase. Adults with chronic and accelerated Philadelphia chromosome-positive CML are resistant or intolerant to previous treatments including imatinib. Children with chronic Philadelphia chromosome-positive CML for ≥ 1 year have resistance or intolerance to previous tyrosine kinase inhibitor therapy. Philadelphia chromosome positive (Ph) acute lymphoblastic leukemia (ALL). Gastrointestinal stromal tumor (GIST)(refractory). |