2-Chloroethyl methyl ether - CAS 627-42-9

Name: 2-Chloroethyl methyl ether
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	1-chloro-2-methoxyethane
Description:	2-Chloroethyl methyl ether (CAS# 627-42-9) is used as a reagent in the synthesis of Piperonyl Methoxyethyl Ether (P490475); a selective inhibitor of the cytochrome P450-dependent monooxygenase from the housefly.
Molecular Weight:	94.54
Molecular Formula:	C3H7ClO
Canonical SMILES:	COCCCl
InChI:	InChI=1S/C3H7ClO/c1-5-3-2-4/h2-3H2,1H3
InChI Key:	XTIGGAHUZJWQMD-UHFFFAOYSA-N
Boiling Point:	89-90 °C
Melting Point:	-55 °C
Purity:	99 %
Density:	1.035 g/cm³
Solubility:	Sol in water; very sol in ether
Appearance:	Clear, colourless to slightly yellow liquid
Storage:	Flammables area
MDL:	MFCD00000972
LogP:	0.87160

GHS Hazard Statement:	H225 (86.02%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P311, P312, P321, P322, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
21583681	20090729	2,5-Bis[2-(2-methoxy-ethoxy)phen-yl]-1,3,4-oxadiazole	Acta crystallographica. Section E, Structure reports online
17113125	20070201	Quantitative structure-activity relationships for toxicity and genotoxicity of halogenated aliphatic compounds: wing spot test of Drosophila melanogaster	Chemosphere
17479433	20070101	Synthesis and antimicrobial activity of some cyclic and acyclic nucleosides of thieno[2,3-d]pyrimidines	Nucleosides, nucleotides & nucleic acids
16613728	20060601	Synthesis and biological evaluation of some pyrimidine, pyrimido[2,1-b][1,3]thiazine and thiazolo[3,2-a]pyrimidine derivatives	Acta pharmaceutica (Zagreb, Croatia)
16440982	20060101	Synthesis and antiviral screening of some thieno[2,3-d]pyrimidine nucleosides	Nucleosides, nucleotides & nucleic acids

Complexity:	16.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	94.0185425
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	94.0185425
Rotatable Bond Count:	2
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7