3,4-Dibromo-5-methylpyrazole - CAS 5932-19-4
Catalog: |
BB030340 |
Product Name: |
3,4-Dibromo-5-methylpyrazole |
CAS: |
5932-19-4 |
Synonyms: |
3,4-dibromo-5-methyl-1H-pyrazole; 3,4-dibromo-5-methyl-1H-pyrazole |
IUPAC Name: | 3,4-dibromo-5-methyl-1H-pyrazole |
Description: | 3,4-Dibromo-5-methylpyrazole (CAS# 5932-19-4) is a useful research chemical compound. |
Molecular Weight: | 239.90 |
Molecular Formula: | C4H4Br2N2 |
Canonical SMILES: | CC1=C(C(=NN1)Br)Br |
InChI: | InChI=1S/C4H4Br2N2/c1-2-3(5)4(6)8-7-2/h1H3,(H,7,8) |
InChI Key: | HKWXBKMXJLNKLC-UHFFFAOYSA-N |
MDL: | MFCD00159652 |
LogP: | 2.24310 |
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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2004296879-A1 | Substituted piperazines | 20031209 |
CA-2548426-A1 | Substituted piperazines | 20031209 |
JP-2007513969-A | Substituted piperazine | 20031209 |
JP-4988355-B2 | Substituted piperazine | 20031209 |
KR-101066501-B1 | Substituted piperazine | 20031209 |
Complexity: | 88.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.87207 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.87412 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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