Methyl 4-(4-chlorophenyl)benzoate - CAS 89901-02-0
Catalog: |
BB039686 |
Product Name: |
Methyl 4-(4-chlorophenyl)benzoate |
CAS: |
89901-02-0 |
Synonyms: |
methyl 4-(4-chlorophenyl)benzoate |
IUPAC Name: | methyl 4-(4-chlorophenyl)benzoate |
Description: | Methyl 4-(4-chlorophenyl)benzoate (CAS# 89901-02-0) is used in the preparation of ionic compound-supported palladium complex as catalyst for suzuki-Miyaura coupling of aryl halides. |
Molecular Weight: | 246.69 |
Molecular Formula: | C14H11ClO2 |
Canonical SMILES: | COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Cl |
InChI: | InChI=1S/C14H11ClO2/c1-17-14(16)12-4-2-10(3-5-12)11-6-8-13(15)9-7-11/h2-9H,1H3 |
InChI Key: | UJIUMBFXWGXMOV-UHFFFAOYSA-N |
Boiling Point: | 364.1 °C at 760 mmHg |
Density: | 1.205 g/cm3 |
MDL: | MFCD04117794 |
LogP: | 3.79360 |
GHS Hazard Statement: | H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]; H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P273, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019101679-A1 | Method for the metal-free preparation of a biaryl by a photosplicing reaction and their uses | 20171121 |
US-2020339529-A1 | Method for the metal-free preparation of a biaryl by a photosplicing reaction and their uses | 20171121 |
EP-3336075-A1 | Gold-catalyzed c-c cross-coupling of boron- and silicon-containing aryl compounds and aryldiazonium compounds by visible-light | 20161219 |
EP-3555029-A1 | Gold-catalyzed c-c cross-coupling of boron- and silicon-containing aryl compounds and aryldiazonium compounds by visible-light | 20161219 |
US-2020031731-A1 | Gold-Catalyzed C-C Cross-Coupling of Boron- and Silicon-Containing Aryl Compounds and Aryldiazonium Compounds by Visible-Light | 20161219 |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.0447573 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.0447573 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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