4-(4-Fluorophenoxy)benzonitrile - CAS 215589-24-5
Catalog: |
BB050043 |
Product Name: |
4-(4-Fluorophenoxy)benzonitrile |
CAS: |
215589-24-5 |
Synonyms: |
4-(4-fluorophenoxy)benzenecarbonitrile; 4-Cyano-4'-fluorodiphenyl Ether |
IUPAC Name: | 4-(4-fluorophenoxy)benzonitrile |
Description: | 4-(4-Fluorophenoxy)benzonitrile (CAS# 215589-24-5 ) is a useful research chemical. |
Molecular Weight: | 213.21 |
Molecular Formula: | C13H8FNO |
Canonical SMILES: | C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)F |
InChI: | InChI=1S/C13H8FNO/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8H |
InChI Key: | NXVPHQNXBDDVCT-UHFFFAOYSA-N |
Boiling Point: | 322.8 °C at 760 mmHg |
Melting Point: | 69 °C |
Purity: | 95 % |
Density: | 1.24 g/cm3 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.058992041 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.058992041 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 33 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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