Methyl 4-ethynyl-1-methyl-1H-pyrazole-3-carboxylate - CAS 1354704-40-7
Catalog: |
BB052116 |
Product Name: |
Methyl 4-ethynyl-1-methyl-1H-pyrazole-3-carboxylate |
CAS: |
1354704-40-7 |
Synonyms: |
methyl4-ethynyl-1-methyl-1H-pyrazole-3-carboxylate |
IUPAC Name: | methyl 4-ethynyl-1-methylpyrazole-3-carboxylate |
Molecular Weight: | 164.16 |
Molecular Formula: | C8H8N2O2 |
Canonical SMILES: | CN1C=C(C(=N1)C(=O)OC)C#C |
InChI: | InChI=1S/C8H8N2O2/c1-4-6-5-10(2)9-7(6)8(11)12-3/h1,5H,2-3H3 |
InChI Key: | WONDBSBPEJBIOM-UHFFFAOYSA-N |
Boiling Point: | 286.2±25.0 °C at 760 mmHg |
Density: | 1.1±0.1 g/cm3 |
GHS Hazard Statement: | 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.058577502 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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