5-Bromo-1,4-dimethyl-1H-pyrazole - CAS 1393583-34-0
Catalog: |
BB070720 |
Product Name: |
5-Bromo-1,4-dimethyl-1H-pyrazole |
CAS: |
1393583-34-0 |
Synonyms: |
5-BROMO-1,4-DIMETHYL-1H-PYRAZOLE; 5-bromo-1,4-dimethylpyrazole; 1H-Pyrazole, 5-bromo-1,4-dimethyl- |
IUPAC Name: | 5-bromo-1,4-dimethylpyrazole |
Molecular Weight: | 175.03 |
Molecular Formula: | C5H7N2Br |
Canonical SMILES: | CC1=C(N(N=C1)C)Br |
InChI: | InChI=1S/C5H7BrN2/c1-4-3-7-8(2)5(4)6/h3H,1-2H3 |
InChI Key: | UKCYRDDMLBDMPK-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.97926 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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