Piperonylonitrile - CAS 4421-09-4
Catalog: |
BB025544 |
Product Name: |
Piperonylonitrile |
CAS: |
4421-09-4 |
Synonyms: |
1,3-benzodioxole-5-carbonitrile |
IUPAC Name: | 1,3-benzodioxole-5-carbonitrile |
Description: | A methylenedioxyphenyl (MDP) compound. Inhibitor of nasal P 450-dependent N-demethylase in rabbits. Toxic against D. farinae, D. pteronyssinus, and T. putrescentiae. |
Molecular Weight: | 147.13 |
Molecular Formula: | C8H5NO2 |
Canonical SMILES: | C1OC2=C(O1)C=C(C=C2)C#N |
InChI: | InChI=1S/C8H5NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,5H2 |
InChI Key: | PKRWWZCDLJSJIF-UHFFFAOYSA-N |
Boiling Point: | 257.3 °C at 760 mmHg |
Density: | 1.34 g/cm3 |
Appearance: | White to beige crystalline powder or needles |
MDL: | MFCD00005820 |
LogP: | 1.28698 |
GHS Hazard Statement: | H302 (97.78%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113121386-A | Method for producing 3, 4-dihydroxybenzonitrile | 20210311 |
CN-111635334-A | Method for generating nitrile by catalyzing primary amine acceptor-free dehydrogenation through Ru complex | 20200713 |
CN-111704558-A | Method for preparing phenyl-2- (2' -cyanophenyl) acetylene compounds by palladium catalysis | 20200622 |
CN-212068711-U | A high-efficient reation kettle for making jasmine nitrile | 20191224 |
CN-110314692-A | Heteropoly acid uses heteropoly acid as the method for catalyst synthesis pepper nitrile | 20180329 |
PMID | Publication Date | Title | Journal |
21688847 | 20110727 | Acaricidal activities of apiol and its derivatives from Petroselinum sativum seeds against Dermatophagoides pteronyssinus, Dermatophagoides farinae, and Tyrophagus putrescentiae | Journal of agricultural and food chemistry |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 147.032028402 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.032028402 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 42.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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