3'-Fluoro-4'-methoxyacetophenone - CAS 455-91-4

Catalog:	BB025939
Product Name:	3'-Fluoro-4'-methoxyacetophenone
CAS:	455-91-4
Synonyms:	1-(3-fluoro-4-methoxyphenyl)ethanone

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(3-fluoro-4-methoxyphenyl)ethanone
Description:	3'-Fluoro-4'-methoxyacetophenone (CAS# 455-91-4) is used in the synthesis chalcones.
Molecular Weight:	168.16
Molecular Formula:	C9H9FO2
Canonical SMILES:	CC(=O)C1=CC(=C(C=C1)OC)F
InChI:	InChI=1S/C9H9FO2/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-5H,1-2H3
InChI Key:	LQASUDVYVOFKNK-UHFFFAOYSA-N
Boiling Point:	148 °C (20 torr)
Melting Point:	92-94 °C
Purity:	98 %
Density:	1.127 g/cm³
Appearance:	White powder or crystals
Storage:	Store in a cool, dry place. Store in a tightly closed container.
MDL:	MFCD00026219
LogP:	2.03690

Publication Number	Title	Priority Date
WO-2021085321-A1	Resin composition, resin sheet, cured film, method for manufacturing cured film, semiconductor device, organic el display device, and display device	20191029
WO-2020146521-A2	Rnai agents for inhibiting expression of hif-2 alpha (epas1), compositions thereof, and methods of use	20190109
WO-2019219517-A1	Substituted dihydropyrazolo pyrazine carboxamide derivatives	20180517
AU-2019270142-A1	Substituted dihydropyrazolo pyrazine carboxamide derivatives	20180517
TW-202012408-A	Substituted dihydropyrazolopyridine carboxamide derivatives	20180517

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Fluorinated Building Blocks

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[452-76-6]
2,4-Difluorotoluene
[459836-92-1]
3,6-Difluoro-2-methylbenzoic acid

Other Pyrimidines

[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[1597-32-6]
2-Amino-6-fluoropyridine
[937601-34-8]
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[351-28-0]
3'-Fluoroacetanilide
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline

GHS Hazard Statement:	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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.05865769
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.05865769
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7