4-Bromo-1-methyl-1H-pyrazole - CAS 15803-02-8
Catalog: |
BB011387 |
Product Name: |
4-Bromo-1-methyl-1H-pyrazole |
CAS: |
15803-02-8 |
Synonyms: |
4-bromo-1-methylpyrazole |
IUPAC Name: | 4-bromo-1-methylpyrazole |
Description: | 4-Bromo-1-methyl-1H-pyrazole (CAS# 15803-02-8) is a useful research chemical. |
Molecular Weight: | 161.00 |
Molecular Formula: | C4H5BrN2 |
Canonical SMILES: | CN1C=C(C=N1)Br |
InChI: | InChI=1S/C4H5BrN2/c1-7-3-4(5)2-6-7/h2-3H,1H3 |
InChI Key: | IXJSDKIJPVSPKF-UHFFFAOYSA-N |
Boiling Point: | 185-188 °C |
Purity: | 97.0 % |
Density: | 1.558 g/cm3 |
MDL: | MFCD02179565 |
LogP: | 1.18260 |
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 |
CN-113214247-A | Azaindole derivative marrow cell proliferation inhibitor, preparation method and application thereof in pharmacy | 20210114 |
JP-2021138690-A | Pharmaceuticals consisting of novel heteroaromatic amide derivatives or salts thereof | 20200228 |
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WO-2021105117-A1 | Substituted aminoquinolones as dgkalpha inhibitors for immune activation | 20191128 |
CN-112409223-A | Amide compounds and medical application thereof as STING inhibitor | 20191012 |
Complexity: | 66.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.96361 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.96361 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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