4-Bromo-3-(chloromethyl)-1-methyl-1H-pyrazole - CAS 915707-66-3
Catalog: |
BB053487 |
Product Name: |
4-Bromo-3-(chloromethyl)-1-methyl-1H-pyrazole |
CAS: |
915707-66-3 |
Synonyms: |
1H-Pyrazole, 4-bromo-3-(chloromethyl)-1-methyl- |
IUPAC Name: | 4-bromo-3-(chloromethyl)-1-methylpyrazole |
Molecular Weight: | 209.47 |
Molecular Formula: | C5H6BrClN2 |
Canonical SMILES: | CN1C=C(C(=N1)CCl)Br |
InChI: | InChI=1S/C5H6BrClN2/c1-9-3-4(6)5(2-7)8-9/h3H,2H2,1H3 |
InChI Key: | WHHNKVUVLZLAAM-UHFFFAOYSA-N |
Boiling Point: | 279.9°C at 760 mmHg |
Melting Point: | 76.5°C |
Purity: | 97% |
Density: | 1.73 g/cm3 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.94029 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.94029 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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