2-Fluoro-5-methylbenzonitrile - CAS 64113-84-4
Catalog: |
BB032372 |
Product Name: |
2-Fluoro-5-methylbenzonitrile |
CAS: |
64113-84-4 |
Synonyms: |
2-fluoro-5-methylbenzonitrile |
IUPAC Name: | 2-fluoro-5-methylbenzonitrile |
Description: | 2-Fluoro-5-methylbenzonitrile (CAS# 64113-84-4) is used in the synthesis of indazoles which have the potential to be selective for the α2-adrenoceptor and central and peripheral nervous systems. |
Molecular Weight: | 135.14 |
Molecular Formula: | C8H6FN |
Canonical SMILES: | CC1=CC(=C(C=C1)F)C#N |
InChI: | InChI=1S/C8H6FN/c1-6-2-3-8(9)7(4-6)5-10/h2-4H,1H3 |
InChI Key: | CMAOLVNGLTWICC-UHFFFAOYSA-N |
Boiling Point: | 204 °C |
Melting Point: | 50-52 °C |
Purity: | 95 % |
Density: | 1.11 g/cm3 |
Appearance: | White crystalline powder |
MDL: | MFCD00134542 |
LogP: | 2.00578 |
GHS Hazard Statement: | H302 (95.56%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021086077-A1 | Isoquinolinone derivative, preparation method therefor, and pharmaceutical composition, comprising same as active ingredient, for prevention or treatment of poly(adp-ribose)polymerase-1 (parp-1)-associated disease | 20191030 |
WO-2021076448-A1 | Somatostatin modulators for treating pituitary adenomas | 20191014 |
WO-2021046183-A1 | Methods of treating epilepsy using the same | 20190905 |
WO-2021030262-A1 | Nonpeptide somatostatin type 5 receptor agonists and uses thereof | 20190814 |
US-2020352925-A1 | Amide derivatives useful in the treatment of hbv infection or hbv-induced diseases | 20190506 |
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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