Methyl 4-(4-chlorophenyl)benzoate - CAS 89901-02-0

Name: Methyl 4-(4-chlorophenyl)benzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB039686
Product Name:	Methyl 4-(4-chlorophenyl)benzoate
CAS:	89901-02-0
Synonyms:	methyl 4-(4-chlorophenyl)benzoate

Technical Data

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