4-iodo-3,5-dimethylisoxazole - CAS 10557-85-4

Catalog:	BB001669
Product Name:	4-iodo-3,5-dimethylisoxazole
CAS:	10557-85-4
Synonyms:	4-iodo-3,5-dimethylisoxazole; 4-iodo-3,5-dimethyl-1,2-oxazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-iodo-3,5-dimethyl-1,2-oxazole
Description:	4-iodo-3,5-dimethylisoxazole (CAS# 10557-85-4) is a useful research chemical.
Molecular Weight:	223.01
Molecular Formula:	C5H6INO
Canonical SMILES:	CC1=C(C(=NO1)C)I
InChI:	InChI=1S/C5H6INO/c1-3-5(6)4(2)8-7-3/h1-2H3
InChI Key:	NMNOXVWRJISEFE-UHFFFAOYSA-N
Boiling Point:	239.2 °C at 760 mmHg
Melting Point:	51-55 °C
Purity:	95 %
Density:	1.857 g/cm³
Appearance:	Light yellow crystal powder
MDL:	MFCD00173743
LogP:	1.89600

Publication Number	Title	Priority Date
CN-111499566-A	Pyridine derivative compound and preparation method thereof	20200430
WO-2020162471-A1	Pyridone derivative	20190208
EP-3584249-A1	Gold (i)-phosphine 1,2,3-triazole derivatives with antiobiotic properties	20180619
WO-2019243273-A1	Gold (i)-phosphine 1,2,3-triazole derivatives with antiobiotic properties	20180619
EP-3810618-A1	Gold (i)-phosphine 1,2,3-triazole derivatives with antibiotic properties	20180619

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Related Functional Groups

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[40279-32-1]
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[100189-59-1]
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[3209-72-1]
Ethyl 5-methylisoxazole-3-carboxylate
[51135-73-0]
Ethyl 5-methylisoxazole-4-carboxylate

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	88.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.94941
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	222.94941
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8