4-(Trifluoromethyl)-N-methylaniline - CAS 22864-65-9
Catalog: |
BB017776 |
Product Name: |
4-(Trifluoromethyl)-N-methylaniline |
CAS: |
22864-65-9 |
Synonyms: |
N-methyl-4-(trifluoromethyl)aniline |
IUPAC Name: | N-methyl-4-(trifluoromethyl)aniline |
Description: | 4-(Trifluoromethyl)-N-methylaniline (CAS# 22864-65-9) is used in the synthesis of Tasquinimod (T007820), an orally active antiangiogenic agent which may inhibit HDAC4 signalling. This affects cancer cell survival thus making this compound and anti-cancer agent. |
Molecular Weight: | 175.15 |
Molecular Formula: | C8H8F3N |
Canonical SMILES: | CNC1=CC=C(C=C1)C(F)(F)F |
InChI: | InChI=1S/C8H8F3N/c1-12-7-4-2-6(3-5-7)8(9,10)11/h2-5,12H,1H3 |
InChI Key: | UTUYWZJPVLDHJJ-UHFFFAOYSA-N |
Boiling Point: | 105-106 °C / 20 mmHg (lit.) |
Purity: | 97.0 % |
Density: | 1.2394 g/mL at 25°C(lit.) |
MDL: | MFCD07369717 |
LogP: | 2.82010 |
GHS Hazard Statement: | H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113501764-A | Asymmetric synthesis method of multi-functional cyclopentenone derivative containing trifluoromethyl | 20210707 |
CN-113501766-A | Asymmetric synthesis method of multifunctional cyclopentenone derivative containing difluoroalkyl | 20210707 |
CN-112812061-A | N-aryl-1, 2,3, 4-tetrahydroisoquinoline-7-amine compound and application thereof | 20191210 |
WO-2021102330-A1 | Compositions and methods for treatment of pain | 20191121 |
WO-2021096496-A1 | Methods for forming aryl carbon-nitrogen bonds using light and photoreactors useful for conducting such reactions | 20191112 |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.06088375 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.06088375 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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