4,4'-Difluorobenzil - CAS 579-39-5

Catalog:	BB029867
Product Name:	4,4'-Difluorobenzil
CAS:	579-39-5
Synonyms:	1,2-bis(4-fluorophenyl)ethane-1,2-dione

Technical Data

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Computed Properties

IUPAC Name:	1,2-bis(4-fluorophenyl)ethane-1,2-dione
Description:	4,4'-Difluorobenzil (CAS# 579-39-5) is a useful research chemical compound.
Molecular Weight:	246.21
Molecular Formula:	C14H8F2O2
Canonical SMILES:	C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)F)F
InChI:	InChI=1S/C14H8F2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H
InChI Key:	BRKULQOUSCHDGS-UHFFFAOYSA-N
Boiling Point:	370.2 °C at 760 mmHg
Density:	1.304 g/cm³
Solubility:	Soluble in water.
Appearance:	Yellow powder
MDL:	MFCD00134541
LogP:	3.03040

Publication Number	Title	Priority Date
CN-111635361-A	Fluorescent compound and preparation method and application thereof	20200520
WO-2020233437-A1	Use of diketone compound in photodynamic therapy or diagnosis	20190517
WO-2020174058-A1	Method for producing quinoxalines	20190227
TW-202019981-A	Modifier for polymer, method for manufacturing modified conjugated diene polymer, modified conjugated diene polymer, rubber composition, tire and rubber belt	20180830
DE-102017210944-A1	Alcohol dehydrogenases and methods for the stereoselective reduction of carbonyl compounds	20170628

PMID	Publication Date	Title	Journal
19062296	20090101	Comparison of benzil and trifluoromethyl ketone (TFK)-mediated carboxylesterase inhibition using classical and 3D-quantitative structure-activity relationship analysis	Bioorganic & medicinal chemistry
21203308	20080731	(E)-1,2-Bis(4-fluoro-phen-yl)ethane-1,2-dione	Acta crystallographica. Section E, Structure reports online
17399985	20070601	Analysis of the inhibition of mammalian carboxylesterases by novel fluorobenzoins and fluorobenzils	Bioorganic & medicinal chemistry
15828829	20050421	Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases	Journal of medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1597-32-6]
2-Amino-6-fluoropyridine

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[451-46-7]
Ethyl 4-fluorobenzoate
[81290-20-2]
Trimethyl(trifluoromethyl)silane
[1489-53-8]
1,2,3-Trifluorobenzene

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	282
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	246.04923582
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	246.04923582
Rotatable Bond Count:	3
Topological Polar Surface Area:	34.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6