4-Phenoxybenzonitrile - CAS 3096-81-9
Catalog: |
BB020766 |
Product Name: |
4-Phenoxybenzonitrile |
CAS: |
3096-81-9 |
Synonyms: |
4-phenoxybenzonitrile |
IUPAC Name: | 4-phenoxybenzonitrile |
Description: | 4-Phenoxybenzonitrile (CAS# 3096-81-9) is a useful research chemical. |
Molecular Weight: | 195.22 |
Molecular Formula: | C13H9NO |
Canonical SMILES: | C1=CC=C(C=C1)OC2=CC=C(C=C2)C#N |
InChI: | InChI=1S/C13H9NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H |
InChI Key: | UYHCIOZMFCLUDP-UHFFFAOYSA-N |
Boiling Point: | 325.4 °C at 760 mmHg |
Melting Point: | 42-46 °C (lit.) |
Purity: | 98+ % |
Density: | 1.17 g/cm3 |
Appearance: | White to yellow powder or crystals |
MDL: | MFCD00017346 |
LogP: | 3.35058 |
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, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113024530-A | Isatin-1, 2, 4-oxadiazole compound and preparation method and application thereof | 20210315 |
CN-110156634-A | A kind of preparation method of diaryl ether compound object | 20190509 |
CN-110156635-A | A kind of EDA transient state electron donor-acceptor complex, preparation method and applications | 20190509 |
CN-109824544-A | Novel EDA transient state electron donor-acceptor complex, preparation method and applications | 20190311 |
CN-109879779-A | A kind of novel processing step of diaryl ether compound object and its application | 20190311 |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.068413911 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 33 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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