4-(Trifluoromethylthio)benzylamine - CAS 128273-56-3
Catalog: |
BB006893 |
Product Name: |
4-(Trifluoromethylthio)benzylamine |
CAS: |
128273-56-3 |
Synonyms: |
[4-(trifluoromethylsulfanyl)phenyl]methanamine |
IUPAC Name: | [4-(trifluoromethylsulfanyl)phenyl]methanamine |
Description: | 4-(Trifluoromethylthio)benzylamine (CAS# 128273-56-3) is a useful research chemical. |
Molecular Weight: | 207.22 |
Molecular Formula: | C8H8F3NS |
Canonical SMILES: | C1=CC(=CC=C1CN)SC(F)(F)F |
InChI: | InChI=1S/C8H8F3NS/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H,5,12H2 |
InChI Key: | LACURGWEZCFLBO-UHFFFAOYSA-N |
Boiling Point: | 382.9 °C at 760 mmHg |
Melting Point: | 224-225 °C (760 mmH g) |
Purity: | 95 % |
Density: | 1.31 g/cm3 |
Appearance: | Liquid |
Storage: | Keep in dark place, Inert atmosphere, Room temperature |
MDL: | MFCD00190129 |
LogP: | 3.45750 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020120449-A1 | Substituted xanthine derivatives | 20181212 |
WO-2020120450-A1 | Substituted xanthine derivatives | 20181212 |
WO-2013126856-A1 | Substituted 5-aminothieno[2,3-c]pyridazine-6-carboxamide analogs as positive allosteric modulators of the muscarinic acetylcholine receptor m4 | 20120223 |
EP-2681215-B1 | Serine/threonine kinase inhibitors | 20110228 |
US-2014336377-A1 | Arylamide derivatives as ttx-s blockers | 20101018 |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.03295492 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.03295492 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 51.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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