3-Phenoxybenzoyl Chloride - CAS 3586-15-0

Catalog:	BB022778
Product Name:	3-Phenoxybenzoyl Chloride
CAS:	3586-15-0
Synonyms:	3-phenoxybenzoyl chloride; 3-phenoxybenzoyl chloride

Technical Data

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Computed Properties

IUPAC Name:	3-phenoxybenzoyl chloride
Description:	3-Phenoxybenzoyl Chloride (CAS# 3586-15-0) is a useful research chemical.
Molecular Weight:	232.66
Molecular Formula:	C13H9ClO2
Canonical SMILES:	C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)Cl
InChI:	InChI=1S/C13H9ClO2/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H
InChI Key:	TTZXIWBOKOZOPL-UHFFFAOYSA-N
Boiling Point:	330 °C at 760 mmHg
Density:	1.247 g/cm³
LogP:	3.85790

Publication Number	Title	Priority Date
CA-3053918-A1	Reduction of pro-inflammatory hdl using a leukotriene inhibitor	20170216
US-2020147064-A1	Reduction of Pro-Inflammatory HDL Using a Leukotriene Inhibitor	20170216
RU-2582127-C1	Method of producing ethyl 5-methyl-3-(3-phenoxyphenyl)-1-phenyl-1h-pyrazolyl-4-carboxylate	20150519
RU-2592281-C1	Method of producing ethyl 5-methyl-3-(3-phenoxyphenyl)isoxazole-4-carboxylate	20150519
US-10174015-B2	Substituted heterocyclic derivative, preparation method and use thereof	20141031

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	236
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.0291072
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	232.0291072
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.9