4-Ethylbenzonitrile - CAS 25309-65-3
Catalog: |
BB018852 |
Product Name: |
4-Ethylbenzonitrile |
CAS: |
25309-65-3 |
Synonyms: |
4-ethylbenzonitrile |
IUPAC Name: | 4-ethylbenzonitrile |
Description: | 4-Ethylbenzonitrile (CAS# 25309-65-3) is a nickel oxide catalyst, used in preparation method and its application in synthesis of pyrimidine derivatives. |
Molecular Weight: | 131.17 |
Molecular Formula: | C9H9N |
Canonical SMILES: | CCC1=CC=C(C=C1)C#N |
InChI: | InChI=1S/C9H9N/c1-2-8-3-5-9(7-10)6-4-8/h3-6H,2H2,1H3 |
InChI Key: | SXFFMFAQNAFSLF-UHFFFAOYSA-N |
Boiling Point: | 237 °C |
Purity: | 98.0 % (GC) |
Density: | 0.956 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00016383 |
LogP: | 2.12068 |
Publication Number | Title | Priority Date |
CN-113024530-A | Isatin-1, 2, 4-oxadiazole compound and preparation method and application thereof | 20210315 |
CN-112675850-A | Nickel catalyst, preparation method thereof and synthesis method of pyrimidine derivatives | 20201223 |
WO-2021124279-A1 | Compounds active towards nuclear receptors | 20191220 |
WO-2021119249-A1 | Cyclophilin d inhibitors and uses thereof | 20191210 |
CN-110862292-A | Preparation method of 1-aryl-1, 2-dibromoethane | 20191119 |
Complexity: | 134 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 131.073499291 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 131.073499291 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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