2-Cyanophenylacetonitrile - CAS 3759-28-2
Catalog: |
BB023351 |
Product Name: |
2-Cyanophenylacetonitrile |
CAS: |
3759-28-2 |
Synonyms: |
2-(cyanomethyl)benzonitrile |
IUPAC Name: | 2-(cyanomethyl)benzonitrile |
Description: | 2-Cyanophenylacetonitrile (CAS# 3759-28-2) is a useful research chemical. |
Molecular Weight: | 142.16 |
Molecular Formula: | C9H6N2 |
Canonical SMILES: | C1=CC=C(C(=C1)CC#N)C#N |
InChI: | InChI=1S/C9H6N2/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5H2 |
InChI Key: | GKHSEDFDYXZGCG-UHFFFAOYSA-N |
Boiling Point: | 293.8 °C at 760 mmHg |
Melting Point: | 76 °C |
Purity: | 95 % |
Density: | 1.12 g/cm3 |
Appearance: | Beige to green to brown powder an/or chunks |
MDL: | MFCD00001895 |
LogP: | 1.62436 |
GHS Hazard Statement: | H302 (97.87%): 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 |
CN-111004284-A | Synthesis method and application of polysubstituted 2-aminopyridine derivative | 20191226 |
CN-109180529-A | A kind of synthetic method of pesticide intermediate 4- cyano benzyl cyanide | 20181024 |
CN-109336785-A | A kind of ionic-liquid catalyst and its application in synthesis 4- cyano benzyl cyanide | 20181024 |
WO-2020063636-A1 | Pyrazolopyrimidine compound and preparation method and use thereof in preparation of anti-cancer drug | 20180927 |
WO-2019096677-A1 | Microbiological process for the preparation of amides | 20171114 |
PMID | Publication Date | Title | Journal |
20848014 | 20101121 | 3-Hydroxypyrrolo[2,3-b]pyridine and related compounds - indoxyl analogues with fused electron deficient rings | Organic & biomolecular chemistry |
19138088 | 20090309 | Modular synthesis of oxazolines and their derivatives | Journal of combinatorial chemistry |
19072092 | 20090206 | Interconversion of nitrenes, azirenes, and diradicals: rearrangement of 3-isoquinolylnitrene to o-cyanophenylketenimine and 1-cyanoisoindole | The Journal of organic chemistry |
12585890 | 20030221 | 2-Quinolyl- and 1-isoquinolylnitrenes: ring expansion and ring opening in heteroarylnitrenes | The Journal of organic chemistry |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.053098200 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.053098200 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 47.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS