3,5-Diethyl-1H-pyrazole - CAS 2817-73-4
Catalog: |
BB054234 |
Product Name: |
3,5-Diethyl-1H-pyrazole |
CAS: |
2817-73-4 |
Synonyms: |
1H-Pyrazole, 3,5-diethyl-; 3,5-Diethylpyrazole |
IUPAC Name: | 3,5-diethyl-1H-pyrazole |
Molecular Weight: | 124.18 |
Molecular Formula: | C7H12N2 |
Canonical SMILES: | CCC1=CC(=NN1)CC |
InChI: | InChI=1S/C7H12N2/c1-3-6-5-7(4-2)9-8-6/h5H,3-4H2,1-2H3,(H,8,9) |
InChI Key: | UFLLSVUGUWBXJA-UHFFFAOYSA-N |
Boiling Point: | 237.4±9.0°C at 760 mmHg |
Melting Point: | 22-24°C |
Purity: | ≥95% |
Density: | 0.980±0.06 g/cm3 (Predicted) |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
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: | 83 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 124.100048391 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 124.100048391 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 28.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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