Glutaric acid monomethyl ester chloride - CAS 1501-26-4

Catalog:	BB010489
Product Name:	Glutaric acid monomethyl ester chloride
CAS:	1501-26-4
Synonyms:	methyl 5-chloro-5-oxopentanoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 5-chloro-5-oxopentanoate
Description:	Glutaric acid monomethyl ester chloride (CAS# 1501-26-4) is used in the synthesis of Leukotriene B4, a proinflammatory agent produced from leukocytes.
Molecular Weight:	164.59
Molecular Formula:	C6H9ClO3
Canonical SMILES:	COC(=O)CCCC(=O)Cl
InChI:	InChI=1S/C6H9ClO3/c1-10-6(9)4-2-3-5(7)8/h2-4H2,1H3
InChI Key:	JCAZSWWHFJVFPP-UHFFFAOYSA-N
Boiling Point:	110 °C (17 mmHg)
Density:	1.191 g/cm³
MDL:	MFCD00000756
LogP:	1.09510

Publication Number	Title	Priority Date
CN-111403810-A	Preparation method of organic flame-retardant electrolyte of lithium ion battery	20200412
WO-2021183913-A1	Fentanyl haptens, fentanyl hapten conjugates, and methods for making and using	20200313
WO-2021146380-A1	Boron-containing cyclic emissive compounds and color conversion film containing the same	20200117
WO-2021092446-A1	Fentanyl hapten, fentanyl hapten-conjugates, and methods for making and using	20191108
WO-2020210761-A1	Boron-containing cyclic emissive compounds and color conversion film containing the same	20190412

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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, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.0240218
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	164.0240218
Rotatable Bond Count:	5
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3