6-Chloro-3-(trifluoromethyl)pyridine-2-carbonitrile - CAS 401590-41-8
Catalog: |
BB024339 |
Product Name: |
6-Chloro-3-(trifluoromethyl)pyridine-2-carbonitrile |
CAS: |
401590-41-8 |
Synonyms: |
6-chloro-3-(trifluoromethyl)-2-pyridinecarbonitrile; 6-chloro-3-(trifluoromethyl)pyridine-2-carbonitrile |
IUPAC Name: | 6-chloro-3-(trifluoromethyl)pyridine-2-carbonitrile |
Description: | 6-Chloro-3-(trifluoromethyl)pyridine-2-carbonitrile (CAS# 401590-41-8) is a useful research chemical. |
Molecular Weight: | 206.55 |
Molecular Formula: | C7H2ClF3N2 |
Canonical SMILES: | C1=CC(=NC(=C1C(F)(F)F)C#N)Cl |
InChI: | InChI=1S/C7H2ClF3N2/c8-6-2-1-4(7(9,10)11)5(3-12)13-6/h1-2H |
InChI Key: | SQTMSBJBTATQID-UHFFFAOYSA-N |
LogP: | 2.62548 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019204550-A1 | Isoindolines as hdac inhibitors | 20180420 |
AU-2019256422-A1 | Isoindolines as HDAC inhibitors | 20180420 |
BR-112020021353-A2 | ISOINDOLINS AS HDAC INHIBITORS | 20180420 |
CN-112292370-A | Isoindolines as HDAC inhibitors | 20180420 |
EP-3784654-A1 | Isoindolines as hdac inhibitors | 20180420 |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.9858603 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.9858603 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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