3-(4-Fluorophenyl)-1H-pyrazole - CAS 154258-82-9

Name: 3-(4-Fluorophenyl)-1H-pyrazole
Brand: BOC Sciences
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Catalog:	BB010996
Product Name:	3-(4-Fluorophenyl)-1H-pyrazole
CAS:	154258-82-9
Synonyms:	5-(4-fluorophenyl)-1H-pyrazole

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Computed Properties

IUPAC Name:	5-(4-fluorophenyl)-1H-pyrazole
Description:	3-(4-Fluorophenyl)-1H-pyrazole (CAS# 154258-82-9) is a useful research chemical.
Molecular Weight:	162.16
Molecular Formula:	C9H7FN2
Canonical SMILES:	C1=CC(=CC=C1C2=CC=NN2)F
InChI:	InChI=1S/C9H7FN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H,(H,11,12)
InChI Key:	STTNBHIFTZEPSH-UHFFFAOYSA-N
Boiling Point:	334.1 °C at 760 mmHg
Melting Point:	100-104 °C
Purity:	95 %
Density:	1.242 g/cm³
MDL:	MFCD00665857
LogP:	2.21580

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Related Functional Groups

Fluorinated Building Blocks

[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[452-76-6]C7H6F2
2,4-Difluorotoluene
[1170836-29-9]C12H12F3N5
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[1795420-51-7]C6H6F3N3O2
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
[861225-50-5]C11H9ClF2O3
4-Chloro-4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione

Other Pyrimidines

[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[832739-73-8]C10H6Cl2N2S
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[1632145-37-9]0
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione

Pyrazoles

[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[1250876-38-0]C8H14N4
1-Cyclopentyl-1H-pyrazole-3,5-diamine

GHS Hazard Statement:	H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-110483400-A	A kind of preparation method of pyrazole derivatives	20190814
CN-110372626-A	A method of preparing 1,2,4- furodiazole compound	20190719
WO-2020243373-A1	Selective androgen receptor degrader (sard) ligands and methods of use thereof	20190529
US-2020361939-A1	Modulators of alpha-1 antitrypsin	20190514
WO-2020247160-A1	Condensed tryciclic pyrroles as alpha-1 antitrypsin modulators	20190514

PMID	Publication Date	Title	Journal
18226897	20080215	1H-Pyrazolo[3,4-g]hexahydro-isoquinolines as selective glucocorticoid receptor antagonists with high functional activity	Bioorganic & medicinal chemistry letters
17387399	20070414	Four copper(II) pyrazolido complexes derived from reactions of 3{5}-substituted pyrazoles with CuF(2) or Cu(OH)(2)	Dalton transactions (Cambridge, England : 2003)
12606009	20030201	Synthesis of novel arylpyrazolo corticosteroids as potential ligands for imaging brain glucocorticoid receptors	Steroids

Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.05932639
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	162.05932639
Rotatable Bond Count:	1
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2