4-Amino-3-(trifluoromethyl)pyridine - CAS 387824-61-5
Catalog: |
BB023756 |
Product Name: |
4-Amino-3-(trifluoromethyl)pyridine |
CAS: |
387824-61-5 |
Synonyms: |
3-(trifluoromethyl)pyridin-4-amine |
IUPAC Name: | 3-(trifluoromethyl)pyridin-4-amine |
Description: | 4-Amino-3-(trifluoromethyl)pyridine (CAS# 387824-61-5) is a reactant in the preparation of pyridinyl salicylamides with antimycobacterial activity. |
Molecular Weight: | 162.11 |
Molecular Formula: | C6H5F3N2 |
Canonical SMILES: | C1=CN=CC(=C1N)C(F)(F)F |
InChI: | InChI=1S/C6H5F3N2/c7-6(8,9)4-3-11-2-1-5(4)10/h1-3H,(H2,10,11) |
InChI Key: | DYAGVPKVELUYPJ-UHFFFAOYSA-N |
Boiling Point: | 330.8 °C at 760 mmHg |
Melting Point: | 98-102 °C |
Purity: | 95 % |
Density: | 1.366 g/cm3 |
Appearance: | White to light yellow crystal |
MDL: | MFCD02183554 |
LogP: | 2.26380 |
GHS Hazard Statement: | H300 (88.37%): Fatal if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P272, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-107954987-A | A kind of sulfamide derivative and its application in antitumor drug | 20171222 |
CN-107954988-A | A kind of sulfamide derivative, preparation method and its application as NAMPT inhibitor in antitumor drug | 20171222 |
EP-3294714-A1 | Morphinan derivatives for the treatment of neuropathic pain | 20150508 |
US-2018127375-A1 | Morphinan derivatives for the treatment of neuropathic pain | 20150508 |
WO-2016182840-A1 | Morphinan derivatives for the treatment of neuropathic pain | 20150508 |
Complexity: | 134 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.04048265 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.04048265 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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