4-(Chloromethyl)-2-methyloxazole - CAS 141399-53-3

Catalog:	BB009175
Product Name:	4-(Chloromethyl)-2-methyloxazole
CAS:	141399-53-3
Synonyms:	4-(chloromethyl)-2-methyloxazole; 4-(chloromethyl)-2-methyl-1,3-oxazole

Technical Data

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Computed Properties

IUPAC Name:	4-(chloromethyl)-2-methyl-1,3-oxazole
Description:	4-(Chloromethyl)-2-methyloxazole (CAS# 141399-53-3) is a useful research chemical.
Molecular Weight:	131.56
Molecular Formula:	C5H6ClNO
Canonical SMILES:	CC1=NC(=CO1)CCl
InChI:	InChI=1S/C5H6ClNO/c1-4-7-5(2-6)3-8-4/h3H,2H2,1H3
InChI Key:	BHSQXKLNZCIOKT-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	1.72180

Publication Number	Title	Priority Date
WO-2020249785-A1	Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators	20190614
US-2021017169-A1	Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators	20190614
CN-111518022-A	Aromatic (hetero) cyclic ether compound with insecticidal activity and preparation method and application thereof	20190202
WO-2020156512-A1	Aromatic (hetero)cyclic ether compound having insecticidal activity, preparation method therefor, and application thereof	20190202
WO-2019067442-A1	DIHYDROTHIENO [3,2-B] PYRIDINE COMPOUNDS	20170926

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Related Functional Groups

Oxazole/Thiazole

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GHS Hazard Statement:	H227 (100%): Combustible liquid [Warning Flammable liquids]
Precautionary Statement:	P210, P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	78.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	131.0137915
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	131.0137915
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2