4-Phenylbenzonitrile - CAS 2920-38-9
Catalog: |
BB020126 |
Product Name: |
4-Phenylbenzonitrile |
CAS: |
2920-38-9 |
Synonyms: |
4-phenylbenzonitrile |
IUPAC Name: | 4-phenylbenzonitrile |
Description: | 4-Phenylbenzonitrile (CAS# 2920-38-9) is a useful research chemical. |
Molecular Weight: | 179.22 |
Molecular Formula: | C13H9N |
Canonical SMILES: | C1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
InChI: | InChI=1S/C13H9N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H |
InChI Key: | BPMBNLJJRKCCRT-UHFFFAOYSA-N |
Boiling Point: | 193 °C / 20 mmHg |
Purity: | 95 % |
Density: | 1.11 g/cm3 |
Appearance: | Crystals |
MDL: | MFCD00001821 |
LogP: | 3.22528 |
GHS Hazard Statement: | H302 (32.84%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113087678-A | Synthetic method of ultraviolet absorbent UV-1600 | 20210331 |
CN-113024530-A | Isatin-1, 2, 4-oxadiazole compound and preparation method and application thereof | 20210315 |
CN-112851938-A | One-dimensional organic nano material and preparation method thereof | 20210111 |
CN-112574077-A | Method for synthesizing sulfone compound under photocatalysis condition | 20201212 |
CN-111635334-A | Method for generating nitrile by catalyzing primary amine acceptor-free dehydrogenation through Ru complex | 20200713 |
PMID | Publication Date | Title | Journal |
22509205 | 20120101 | Synthesis and mesomorphic properties of calamitic malonates and cyanoacetates tethered to 4-cyanobiphenyls | Beilstein journal of organic chemistry |
22509219 | 20120101 | Liquid-crystalline heterodimesogens and ABA-heterotrimesogens comprising a bent 3,5-diphenyl-1,2,4-oxadiazole central unit | Beilstein journal of organic chemistry |
21867194 | 20110701 | Director alignment by crossed electric and magnetic fields: a deuterium NMR study | Physical review. E, Statistical, nonlinear, and soft matter physics |
21107368 | 20101201 | An efficient organocatalytic method for constructing biaryls through aromatic C-H activation | Nature chemistry |
20496880 | 20100617 | Cylindrical sub-micrometer confinement results for the odd-symmetric dimer alpha,omega-bis[(4-cyanobiphenyl)-4'-yloxy]undecane (BCB.O11) | The journal of physical chemistry. B |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.073499291 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.073499291 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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