2-Methyl-6-(trifluoromethyl)nicotinoyl Chloride - CAS 261635-98-7
Catalog: |
BB019160 |
Product Name: |
2-Methyl-6-(trifluoromethyl)nicotinoyl Chloride |
CAS: |
261635-98-7 |
Synonyms: |
2-methyl-6-(trifluoromethyl)-3-pyridinecarbonyl chloride; 2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl chloride |
IUPAC Name: | 2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl chloride |
Description: | 2-Methyl-6-(trifluoromethyl)nicotinoyl Chloride (CAS# 261635-98-7 ) is a useful research chemical. |
Molecular Weight: | 223.58 |
Molecular Formula: | C8H5ClF3NO |
Canonical SMILES: | CC1=C(C=CC(=N1)C(F)(F)F)C(=O)Cl |
InChI: | InChI=1S/C8H5ClF3NO/c1-4-5(7(9)14)2-3-6(13-4)8(10,11)12/h2-3H,1H3 |
InChI Key: | NXGBKYDPTQMSFS-UHFFFAOYSA-N |
Boiling Point: | 216 °C at 760 mmHg |
Density: | 1.27 g/cm3 |
MDL: | MFCD02091398 |
LogP: | 2.78780 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
KR-20200021494-A | Novel nucleoside or nucleotide derivatives, and use thereof | 20200220 |
KR-102145025-B1 | Novel nucleoside or nucleotide derivatives, and use thereof | 20200220 |
KR-20190090301-A | Novel nucleoside or nucleotide derivatives, and use thereof | 20180124 |
CN-111902419-A | Novel nucleoside or nucleotide derivatives and use thereof | 20180124 |
EP-3744726-A1 | Novel nucleoside or nucleotide derivatives, and uses thereof | 20180124 |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.0011760 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.0011760 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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