5-(Thiophen-2-yl)isoxazole-3-carbohydrazide - CAS 90004-25-4

Catalog:	BB050610
Product Name:	5-(Thiophen-2-yl)isoxazole-3-carbohydrazide
CAS:	90004-25-4
Synonyms:	5-(2-thienyl)-3-isoxazolecarbohydrazide; 5-(thiophen-2-yl)-1,2-oxazole-3-carbohydrazide

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
Description:	5-(Thiophen-2-yl)isoxazole-3-carbohydrazide (CAS# 90004-25-4 ) is a useful research chemical.
Molecular Weight:	209.23
Molecular Formula:	C8H7N3O2S
Canonical SMILES:	C1=CSC(=C1)C2=CC(=NO2)C(=O)NN
InChI:	InChI=1S/C8H7N3O2S/c9-10-8(12)5-4-6(13-11-5)7-2-1-3-14-7/h1-4H,9H2,(H,10,12)
InChI Key:	UONIOLDTDNNOKX-UHFFFAOYSA-N
Melting Point:	143-144 °C
Purity:	95 %
Density:	1.416±0.06 g/cm³(Predicted)
Appearance:	Solid

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Related Functional Groups

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Carbonyl Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
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1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

Isoxazoles

[712347-12-1]
3-(2-Chloro-6-fluorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid
[1011398-65-4]
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[640291-92-5]
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[207291-72-3]
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[54535-14-7]
Ethyl 5-Hydroxy-4-isoxazolecarboxylate
[938006-55-4]
Ethyl 5-methyl-4-[(4-nitrophenoxy)methyl]isoxazole-3-carboxylate

Thiophenes

[832741-29-4]
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[38401-73-9]
5-(3-Nitrophenyl)-2-thiophenecarbaldehyde
[1263280-02-9]
Ethyl 4-fluorobenzo[b]thiophene-2-carboxylate
[308831-93-8]
Ethyl 2-[(ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylate
[350990-31-7]
Ethyl 2-amino-4-(2,5-dimethylphenyl)-5-methylthiophene-3-carboxylate
[325724-66-1]
Ethyl 2-amino-4-(2-chlorophenyl)thiophene-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:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.02589765
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	209.02589765
Rotatable Bond Count:	2
Topological Polar Surface Area:	109
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6