4-Fluoropyrazole - CAS 35277-02-2
Catalog: |
BB022589 |
Product Name: |
4-Fluoropyrazole |
CAS: |
35277-02-2 |
Synonyms: |
4-fluoro-1H-pyrazole; 4-fluoro-1H-pyrazole |
IUPAC Name: | 4-fluoro-1H-pyrazole |
Description: | 4-Fluoropyrazole (CAS# 35277-02-2) is used in preparation and palladium catalyzed cross-coupling reactions of tributylstannyl fluoropyrazole. |
Molecular Weight: | 86.07 |
Molecular Formula: | C3H3FN2 |
Canonical SMILES: | C1=C(C=NN1)F |
InChI: | InChI=1S/C3H3FN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6) |
InChI Key: | RYXJXPHWRBWEEB-UHFFFAOYSA-N |
Boiling Point: | 192.7 °C at 760 mmHg |
Density: | 1.32 g/cm3 |
MDL: | MFCD10699125 |
LogP: | 0.54880 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021202936-A1 | Pyrazolylpropanamide compounds and uses thereof for treatment of prostate cancer | 20200402 |
CN-113461615-A | Preparation method of 4-fluoro-1H-pyrazole | 20200330 |
CN-111253400-A | Halogenated pyrazole matrine derivative with insecticidal activity and preparation method and application thereof | 20200226 |
CN-111253400-B | Halogenated pyrazole matrine derivative with insecticidal activity and preparation method and application thereof | 20200226 |
WO-2021173721-A1 | Selective androgen receptor degrader (sard) ligands and methods of use thereof | 20200225 |
PMID | Publication Date | Title | Journal |
21915207 | 20110101 | Continuous gas/liquid-liquid/liquid flow synthesis of 4-fluoropyrazole derivatives by selective direct fluorination | Beilstein journal of organic chemistry |
18500837 | 20080620 | Reaction of N-methyl-5-tributylstannyl-4-fluoro-1H-pyrazole and its application to N-methyl-chromeno[2,3-d]pyrazol-9-one synthesis | The Journal of organic chemistry |
Complexity: | 48.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 86.02802627 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 86.02802627 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Pyrazoles
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS