4-Bromo-3,5-dimethylpyrazole - CAS 3398-16-1
Catalog: |
BB021920 |
Product Name: |
4-Bromo-3,5-dimethylpyrazole |
CAS: |
3398-16-1 |
Synonyms: |
4-bromo-3,5-dimethyl-1H-pyrazole |
IUPAC Name: | 4-bromo-3,5-dimethyl-1H-pyrazole |
Description: | 4-Bromo-3,5-dimethylpyrazole (CAS# 3398-16-1) is a useful research chemical. |
Molecular Weight: | 175.03 |
Molecular Formula: | C5H7BrN2 |
Canonical SMILES: | CC1=C(C(=NN1)C)Br |
InChI: | InChI=1S/C5H7BrN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8) |
InChI Key: | RISOHYOEPYWKOB-UHFFFAOYSA-N |
Boiling Point: | 269.1 °C at 760 mmHg |
Melting Point: | 119-121 °C |
Purity: | 98 % |
Density: | 1.595 g/cm3 |
Appearance: | White crystalline powder |
MDL: | MFCD00005242 |
LogP: | 1.78900 |
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 |
CN-112630280-A | Polymer sensitive membrane for detecting ammonia nitrogen concentration in water based on ion selection method and preparation method and application thereof | 20201118 |
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PMID | Publication Date | Title | Journal |
11996578 | 20020515 | Tuning and dissecting electronic and steric effects in ammonium receptors: nonactin vs artificial receptors | Journal of the American Chemical Society |
Complexity: | 86.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.97926 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.97926 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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