1H-pyrazole-3-carbonitrile - CAS 36650-74-5
Catalog: |
BB053444 |
Product Name: |
1H-pyrazole-3-carbonitrile |
CAS: |
36650-74-5 |
Synonyms: |
3-Cyanopyrazole; 5-cyanopyrazole; pyrazole-3-carbonitrile; 3-cyano-1H-pyrazole |
IUPAC Name: | 1H-pyrazole-5-carbonitrile |
Molecular Weight: | 93.09 |
Molecular Formula: | C4H3N3 |
Canonical SMILES: | C1=C(NN=C1)C#N |
InChI: | InChI=1S/C4H3N3/c5-3-4-1-2-6-7-4/h1-2H,(H,6,7) |
InChI Key: | YMJLEPMVGQBLHL-UHFFFAOYSA-N |
Boiling Point: | 317.4±15.0 °C at 760 mmHg |
Purity: | 98% |
Density: | 1.3±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: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 93.032697108 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 93.032697108 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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