2-Fluoro-6-methylbenzonitrile - CAS 198633-76-0
Catalog: |
BB015356 |
Product Name: |
2-Fluoro-6-methylbenzonitrile |
CAS: |
198633-76-0 |
Synonyms: |
2-fluoro-6-methylbenzonitrile |
IUPAC Name: | 2-fluoro-6-methylbenzonitrile |
Description: | 2-Fluoro-6-methylbenzonitrile (CAS# 198633-76-0) is a useful research chemical. |
Molecular Weight: | 135.14 |
Molecular Formula: | C8H6FN |
Canonical SMILES: | CC1=C(C(=CC=C1)F)C#N |
InChI: | InChI=1S/C8H6FN/c1-6-3-2-4-8(9)7(6)5-10/h2-4H,1H3 |
InChI Key: | UCSKOUQDVWADGZ-UHFFFAOYSA-N |
Boiling Point: | 207.4 °C at 760 mmHg |
Melting Point: | 39-46 °C |
Purity: | 98 % |
Density: | 1.11 g/cm3 |
Appearance: | White to tan crystal or powder |
MDL: | MFCD06660277 |
LogP: | 2.00578 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021126693-A1 | Gem-disubstituted piperidine melanocortin subtype-2 receptor (mc2r) antagonists and uses thereof | 20191218 |
WO-2021106231-A1 | A compound having inhibitory activity against kras g12d mutation | 20191129 |
WO-2019078620-A1 | NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | 20171020 |
US-2020235304-A1 | Novel compound and organic light emitting device comprising same | 20171020 |
CN-110337433-A | For adjusting the active compound of SGK and pharmaceutical composition and its method | 20161207 |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 135.048427358 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 135.048427358 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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