5-Amino-4-bromo-3-methylisoxazole - CAS 33084-49-0

Catalog:	BB021554
Product Name:	5-Amino-4-bromo-3-methylisoxazole
CAS:	33084-49-0
Synonyms:	4-bromo-3-methyl-1,2-oxazol-5-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-3-methyl-1,2-oxazol-5-amine
Description:	5-Amino-4-bromo-3-methylisoxazole (CAS# 33084-49-0) is a useful research chemical.
Molecular Weight:	177.00
Molecular Formula:	C4H5BrN2O
Canonical SMILES:	CC1=NOC(=C1Br)N
InChI:	InChI=1S/C4H5BrN2O/c1-2-3(5)4(6)8-7-2/h6H2,1H3
InChI Key:	XCYKKCVEVOZFIL-UHFFFAOYSA-N
Boiling Point:	273.538 °C at 760 mmHg
Density:	1.767 g/cm³
MDL:	MFCD09038913
LogP:	1.90890

Publication Number	Title	Priority Date
KR-102294967-B1	Cosmetic composition comprising luffa cylindrica sap as active ingredient	20190822
KR-20210023155-A	Cosmetic composition comprising luffa cylindrica sap as active ingredient	20190822
JP-2013010712-A	Tricyclic compound and pharmaceutical composition containing the same	20110629
JP-5841361-B2	Tricyclic compound and pharmaceutical composition containing the same	20110629
US-2011006670-A1	Organic electroluminescence element, new compound for the same, display device and lighting device using the same	20090707

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Related Functional Groups

Isoxazoles

[883541-40-0]
3-(3-Fluorophenyl)isoxazole-5-carboxylic acid
[861433-83-2]
5-(3,4-Dichlorophenyl)isoxazole-3-carbonyl chloride
[1039833-39-0]
3-Cyclobutylisoxazol-5-amine
[40279-32-1]
Ethyl 2-(methylthio)-1,3-thiazole-4-carboxylate
[1356543-58-2]
Ethyl 3-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-5-carboxylate
[33277-15-5]
Ethyl 5-(4-bromophenyl)isoxazole-3-carboxylate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	90.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.95853
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.95853
Rotatable Bond Count:	0
Topological Polar Surface Area:	52
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1