3-Hydroxypropionitrile - CAS 109-78-4
Catalog: |
BB002540 |
Product Name: |
3-Hydroxypropionitrile |
CAS: |
109-78-4 |
Synonyms: |
3-hydroxypropanenitrile |
IUPAC Name: | 3-hydroxypropanenitrile |
Description: | 3-Hydroxypropionitrile (CAS# 109-78-4) is a compound useful in organic synthesis. |
Molecular Weight: | 71.08 |
Molecular Formula: | C3H5NO |
Canonical SMILES: | C(CO)C#N |
InChI: | InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2 |
InChI Key: | WSGYTJNNHPZFKR-UHFFFAOYSA-N |
Boiling Point: | 221 °C |
Melting Point: | 199 °C |
Flash Point: | 137 °C |
Purity: | 97 % |
Density: | 1.04 g/cm3 |
Solubility: | miscible with Alcohol, Acetone |
Appearance: | Colorless to yellow-brown liquid with a weak odor. sinks and mixes with water. |
Storage: | Store under inert gas |
Decomposition: | When heated or on contact with acid or acid fumes, It emits highly toxic fumes of cyanides |
MDL: | MFCD00002826 |
LogP: | -0.10762 |
Refractive Index: | 1.43 |
Vapor Pressure: | 0.08 mmHg at 77 °F ; 20 mmHg at 243 °F |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
23026227 | 20121015 | Determination of naftopidil enantiomers in rat plasma using chiral solid phases and pre-column derivatization high-performance liquid chromatography | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences |
23026228 | 20121015 | Liquid chromatography-tandem mass spectrometry method for determination of five antidepressants and four atypical antipsychotics and their main metabolites in human serum | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences |
22959824 | 20121001 | Validation of a chiral liquid chromatography-tandem mass spectrometry method for the determination of pantoprazole in dog plasma | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences |
22852822 | 20120907 | E versus Z diazeniumdiolation of acetoacetate-derived carbanions | The Journal of organic chemistry |
22695928 | 20120901 | Aromatic chromophore-tethered Schiff base ligands and their iron(III)/chromium(III) Salen and Saloph capped complexes | Journal of fluorescence |
Complexity: | 51.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 71.037113783 |
Formal Charge: | 0 |
Heavy Atom Count: | 5 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 71.037113783 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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