3-(Chloromethyl)-1-methyl-1H-pyrazole - CAS 84547-64-8
Catalog: |
BB053452 |
Product Name: |
3-(Chloromethyl)-1-methyl-1H-pyrazole |
CAS: |
84547-64-8 |
Synonyms: |
1H-Pyrazole, 3-(chloromethyl)-1-methyl- |
IUPAC Name: | 3-(chloromethyl)-1-methylpyrazole |
Molecular Weight: | 130.57 |
Molecular Formula: | C5H7ClN2 |
Canonical SMILES: | CN1C=CC(=N1)CCl |
InChI: | InChI=1S/C5H7ClN2/c1-8-3-2-5(4-6)7-8/h2-3H,4H2,1H3 |
InChI Key: | DHOBZYGMEYEAEM-UHFFFAOYSA-N |
Boiling Point: | 215.2±15.0 °C at 760 mmHg |
Density: | 1.2±0.1 g/cm3 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 76.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 130.0297759 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 130.0297759 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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