Ethyl 4-Chlorobenzoate - CAS 7335-27-5

Catalog:	BB034825
Product Name:	Ethyl 4-Chlorobenzoate
CAS:	7335-27-5
Synonyms:	4-chlorobenzoic acid ethyl ester; ethyl 4-chlorobenzoate

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Computed Properties

IUPAC Name:	ethyl 4-chlorobenzoate
Description:	Ethyl 4-Chlorobenzoate (CAS# 7335-27-5) is a useful research chemical for organic synthesis and other chemical processes.Is used in preparation of Orthocarboxylates via reaction of Carboxylates with Ethers.
Molecular Weight:	184.62
Molecular Formula:	C9H9ClO2
Canonical SMILES:	CCOC(=O)C1=CC=C(C=C1)Cl
InChI:	InChI=1S/C9H9ClO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChI Key:	RWBYCMPOFNRISR-UHFFFAOYSA-N
Boiling Point:	237-239 °C
Density:	1.187 g/cm³
Appearance:	Liquid
MDL:	MFCD00013645
LogP:	2.51670

Publication Number	Title	Priority Date
KR-20210112888-A	Attractants of Yellow Tea Trips	20200306
CN-112300020-A	Method for synthesizing amide derivative by vanadium catalysis	20191128
WO-2021099134-A1	Process to prepare a procatalyst for polymerization of olefins	20191122
CN-110803977-A	Method for preparing monofluoroalkyl substituted aromatic compound through reduction coupling	20191111
CN-110746866-A	Powder coating with high-temperature yellowing resistance	20191104

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.0291072
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.0291072
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5