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Ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate

Ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate - CAS 163719-81-1

Catalog:	BB050087
Product Name:	Ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
CAS:	163719-81-1
Synonyms:	Ethyl 3-(4-fluorophenyl)-[1,2,4]oxadiazole-5-carboxylate; 1,2,4-Oxadiazole-5-carboxylic acid, 3-(4-fluorophenyl)-, ethyl ester

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
Description:	Ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate (CAS# 163719-81-1 ) is a useful research chemical.
Molecular Weight:	236.20
Molecular Formula:	C11H9FN2O3
Canonical SMILES:	CCOC(=O)C1=NC(=NO1)C2=CC=C(C=C2)F
InChI:	InChI=1S/C11H9FN2O3/c1-2-16-11(15)10-13-9(14-17-10)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3
InChI Key:	BCZQNQXJPMUTQA-UHFFFAOYSA-N
Purity:	95 %

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

Fluorinated Building Blocks

[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[452-76-6]
2,4-Difluorotoluene
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[459836-92-1]
3,6-Difluoro-2-methylbenzoic acid
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine

Oxadiazole/Thiadiazole

[1170088-37-5]
Ethyl 3-(2-(1H-pyrazol-1-yl)propyl)-1,2,4-oxadiazole-5-carboxylate
[1171327-12-0]
Ethyl 3-(2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[261626-93-1]
Ethyl 3-(2-thienyl)-1,2,4-oxadiazole-5-carboxylate
[1006326-48-2]
Ethyl 3-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methyl-1H-pyrazole-5-carboxylate
[478030-57-8]
Ethyl 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxylate
[938002-50-7]
N-(2-Aminoethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide

Oxygen Compounds

[544-62-7]
Batyl alcohol
[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol

GHS Hazard Statement:	H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]; H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	269
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.05972032
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	236.05972032
Rotatable Bond Count:	4
Topological Polar Surface Area:	65.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5