3-Phenoxyphenylacetonitrile - CAS 51632-29-2
Catalog: |
BB027524 |
Product Name: |
3-Phenoxyphenylacetonitrile |
CAS: |
51632-29-2 |
Synonyms: |
2-(3-phenoxyphenyl)acetonitrile |
IUPAC Name: | 2-(3-phenoxyphenyl)acetonitrile |
Description: | 3-Phenoxyphenylacetonitrile (CAS# 51632-29-2) is a useful compound in the preparation of pyrimidine derivatives as inhibitors of N-acylphosphatidylethanolamine phospholipase D (NAPE-PLD). |
Molecular Weight: | 209.24 |
Molecular Formula: | C14H11NO |
Canonical SMILES: | C1=CC=C(C=C1)OC2=CC=CC(=C2)CC#N |
InChI: | InChI=1S/C14H11NO/c15-10-9-12-5-4-8-14(11-12)16-13-6-2-1-3-7-13/h1-8,11H,9H2 |
InChI Key: | DKGMALJGFUHPGB-UHFFFAOYSA-N |
Boiling Point: | 137 °C (0.3 torr) |
Purity: | 98 % |
Density: | 1.124 g/cm3 |
MDL: | MFCD00016393 |
LogP: | 3.54498 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021041278-A2 | Compositions and methods relating to insecticides | 20190823 |
WO-2020198414-A1 | Compositions and methods relating to insecticides | 20190326 |
WO-2020023368-A1 | Pogostone derivatives and methods of using the same | 20180723 |
EP-3797137-A1 | All temperature water borne sealant | 20180625 |
EP-3575287-A1 | Inhibitors of n-acylphosphatidylethanolamine phospholipase d (nape-pld) | 20180531 |
PMID | Publication Date | Title | Journal |
20025275 | 20100127 | HPLC assay for characterizing alpha-cyano-3-phenoxybenzyl pyrethroids hydrolytic metabolism by Helicoverpa armigera (Hubner) based on the quantitative analysis of 3-phenoxybenzoic acid | Journal of agricultural and food chemistry |
17576809 | 20070901 | Identification of rat and human cytochrome p450 isoforms and a rat serum esterase that metabolize the pyrethroid insecticides deltamethrin and esfenvalerate | Drug metabolism and disposition: the biological fate of chemicals |
15682501 | 20050301 | Optimization of technological conditions for one-pot synthesis of (S)-alpha-cyano-3-phenoxybenzyl acetate in organic media | Journal of Zhejiang University. Science. B |
11852644 | 20020201 | Thermal decomposition and isomerization of cis-permethrin and beta-cypermethrin in the solid phase | Pest management science |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.084063974 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 33 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS