4-Bromo-1-(difluoromethyl)pyrazole - CAS 956477-67-1
Catalog: |
BB041791 |
Product Name: |
4-Bromo-1-(difluoromethyl)pyrazole |
CAS: |
956477-67-1 |
Synonyms: |
4-bromo-1-(difluoromethyl)pyrazole; 4-bromo-1-(difluoromethyl)pyrazole |
IUPAC Name: | 4-bromo-1-(difluoromethyl)pyrazole |
Description: | 4-Bromo-1-(difluoromethyl)pyrazole (CAS# 956477-67-1) is a useful research chemical. |
Molecular Weight: | 196.98 |
Molecular Formula: | C4H3BrF2N2 |
Canonical SMILES: | C1=C(C=NN1C(F)F)Br |
InChI: | InChI=1S/C4H3BrF2N2/c5-3-1-8-9(2-3)4(6)7/h1-2,4H |
InChI Key: | YZFOWGPIDPASFC-UHFFFAOYSA-N |
LogP: | 2.04070 |
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, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2015233654-A1 | Heteroaryl Syk inhibitors | 20140319 |
AU-2015233654-B2 | Heteroaryl Syk inhibitors | 20140319 |
CA-2942997-A1 | Heteroaryl syk inhibitors | 20140319 |
CN-106255689-A | Heteroaryl syk inhibitor | 20140319 |
CN-106255689-B | Heteroaryl SYK inhibitor | 20140319 |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.94477 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.94477 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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