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1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carboxaldehyde

1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carboxaldehyde - CAS 423768-41-6

Name: 1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carboxaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025118
Product Name:	1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carboxaldehyde
CAS:	423768-41-6
Synonyms:	1-(4-fluorophenyl)-5-methylpyrazole-4-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(4-fluorophenyl)-5-methylpyrazole-4-carbaldehyde
Description:	1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carboxaldehyde (CAS# 423768-41-6) is a useful research chemical.
Molecular Weight:	204.20
Molecular Formula:	C11H9FN2O
Canonical SMILES:	CC1=C(C=NN1C2=CC=C(C=C2)F)C=O
InChI:	InChI=1S/C11H9FN2O/c1-8-9(7-15)6-13-14(8)11-4-2-10(12)3-5-11/h2-7H,1H3
InChI Key:	XFVNWAPZODECJD-UHFFFAOYSA-N
Boiling Point:	321 °C at 760 mmHg
Melting Point:	113 °C
Purity:	95 %
Density:	1.21 g/cm³
MDL:	MFCD03407349
LogP:	2.13230

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[17746-05-3]C11H21ClO
Undecanoyl chloride
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

Fluorinated Building Blocks

[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[452-76-6]C7H6F2
2,4-Difluorotoluene
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[1975118-13-8]C11H11F2N3
4-[3-(Difluoromethyl)-4-methyl-1H-pyrazol-1-yl]aniline

Other Pyrimidines

[452-76-6]C7H6F2
2,4-Difluorotoluene
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[2696462-69-6]C14H23N5O2Si
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[81290-20-2]C4H9F3Si
Trimethyl(trifluoromethyl)silane
[1160246-50-3]C14H14F3N3O
2-((4-(P-Tolyl)-6-(trifluoromethyl)pyrimidin-2-yl)oxy)ethanamine
[67490-21-5]C16H28N2
2,4,6-Tri-tert-butylpyrimidine

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P321, P332+P313, and P362
Signal Word:	Warning

Publication Number	Title	Priority Date
US-10407422-B2	Triazolopyridine inhibitors of myeloperoxidase	20150903
US-2019023701-A1	Triazolopyridine inhibitors of myeloperoxidase	20150903
WO-2017040449-A1	Triazolopyridine inhibitors of myeloperoxidase	20150903
AU-2008251584-A1	2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines and pyridines and 3-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-2-phenyl pyridines as 5-HT7 receptor antagonists	20070511
AU-2008251584-B2	2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines and pyridines and 3-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-2-phenyl pyridines as 5-HT7 receptor antagonists	20070511

Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.06989108
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	204.06989108
Rotatable Bond Count:	2
Topological Polar Surface Area:	34.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9