4-Ethynyl-1,5-dimethyl-1H-pyrazole - CAS 61514-54-3
Catalog: |
BB052161 |
Product Name: |
4-Ethynyl-1,5-dimethyl-1H-pyrazole |
CAS: |
61514-54-3 |
Synonyms: |
1H-Pyrazole, 4-ethynyl-1,5-dimethyl- |
IUPAC Name: | 4-ethynyl-1,5-dimethylpyrazole |
Molecular Weight: | 120.15 |
Molecular Formula: | C7H8N2 |
Canonical SMILES: | CC1=C(C=NN1C)C#C |
InChI: | InChI=1S/C7H8N2/c1-4-7-5-8-9(3)6(7)2/h1,5H,2-3H3 |
InChI Key: | VCFMZJNLWRPYMG-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger 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, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 120.068748264 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 120.068748264 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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