2-Cyano-5-(trifluoromethyl)pyridine - CAS 95727-86-9
Catalog: |
BB041833 |
Product Name: |
2-Cyano-5-(trifluoromethyl)pyridine |
CAS: |
95727-86-9 |
Synonyms: |
5-(trifluoromethyl)-2-pyridinecarbonitrile; 5-(trifluoromethyl)pyridine-2-carbonitrile |
IUPAC Name: | 5-(trifluoromethyl)pyridine-2-carbonitrile |
Description: | 2-Cyano-5-(trifluoromethyl)pyridine (CAS# 95727-86-9) is a reactant in the synthesis of s-tetrazines. |
Molecular Weight: | 172.11 |
Molecular Formula: | C7H3F3N2 |
Canonical SMILES: | C1=CC(=NC=C1C(F)(F)F)C#N |
InChI: | InChI=1S/C7H3F3N2/c8-7(9,10)5-1-2-6(3-11)12-4-5/h1-2,4H |
InChI Key: | WDSCJULUXJSJOX-UHFFFAOYSA-N |
Boiling Point: | 232.3 °C at 760 mmHg |
Density: | 1.37 g/cm3 |
MDL: | MFCD01001119 |
LogP: | 1.97208 |
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 |
CN-111170932-A | Preparation method of 2-aminomethyl-5-trifluoromethyl pyridine salt | 20200113 |
WO-2021012018-A1 | Inhibitor compounds | 20190724 |
CN-112279845-A | Aryl or heteroaryl substituted thiadiazole compounds and antibacterial application thereof | 20190724 |
WO-2017194786-A1 | Post-functionalization of supramolecular materials | 20160513 |
KR-20160029078-A | Pesticidally active bi- or tricyclic heterocycles with sulfur containing substituents | 20130702 |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.02483259 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.02483259 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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Pyridines
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