Home Other Building Blocks 2,4-Difluorotoluene

2,4-Difluorotoluene

CAS No.:
452-76-6
Catalog Number:
AG003FSV
Molecular Formula:
C7H6F2
Molecular Weight:
128.1193
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$25
- +
25g
95%
In Stock USA
United States
$75
- +
100g
95%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG003FSV
Chemical Name:
2,4-Difluorotoluene
CAS Number:
452-76-6
Molecular Formula:
C7H6F2
Molecular Weight:
128.1193
MDL Number:
MFCD00000332
IUPAC Name:
2,4-difluoro-1-methylbenzene
InChI:
InChI=1S/C7H6F2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
InChI Key:
MPXDAIBTYWGBSL-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)F)C
EC Number:
207-211-9
NSC Number:
3465
Properties
Complexity:
92.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.044g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.122g/mol
Monoisotopic Mass:
128.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
N-[4-(Azetidin-1-ylsulfon-yl)phen-yl]-N-(2,4-difluoro-benz-yl)acetamide. Acta crystallographica. Section E, Structure reports online 20121001
The steric hypothesis for DNA replication and fluorine hydrogen bonding revisited in light of structural data. Accounts of chemical research 20120821
Expanding the horizon of the thymine isostere biochemistry: unique cyclobutane dimers formed by photoreaction between a thymine and a toluene residue in the dinucleotide framework. Chemistry (Weinheim an der Bergstrasse, Germany) 20120618
Structural basis for differential insertion kinetics of dNMPs opposite a difluorotoluene nucleotide residue. Biochemistry 20120221
Measurement and theory of hydrogen bonding contribution to isosteric DNA base pairs. Journal of the American Chemical Society 20120215
Novel modifications in RNA. ACS chemical biology 20120120
2-Chloro-1-[4-(2,4-difluoro-benz-yl)piperazin-1-yl]ethanone. Acta crystallographica. Section E, Structure reports online 20120101
Thermodynamic Control of Small RNA-Mediated Gene Silencing. Frontiers in genetics 20120101
Probing Retroviral and Retrotransposon Genome Structures: The 'SHAPE' of Things to Come. Molecular biology international 20120101
Hydrogen-bonding capability of a templating difluorotoluene nucleotide residue in an RB69 DNA polymerase ternary complex. Journal of the American Chemical Society 20110706
A nucleotide binding rectification Brownian ratchet model for translocation of Y-family DNA polymerases. Theoretical biology & medical modelling 20110101
Solid-state carbon NMR characterization and investigation of intrinsic dissolution behavior of fluconazole polymorphs, anhydrate forms I and II. Chemical & pharmaceutical bulletin 20100901
DNA mismatch repair in eukaryotes and bacteria. Journal of nucleic acids 20100101
Nonlinear breathing modes at a defect site in DNA. Physical review. E, Statistical, nonlinear, and soft matter physics 20091201
Revisiting plus-strand DNA synthesis in retroviruses and long terminal repeat retrotransposons: dynamics of enzyme: substrate interactions. Viruses 20091201
Pairing geometry of the hydrophobic thymine analogue 2,4-difluorotoluene in duplex DNA as analyzed by X-ray crystallography. Journal of the American Chemical Society 20090909
Solution structure of a DNA duplex containing a guanine-difluorotoluene pair: a wobble pair without hydrogen bonding? Journal of the American Chemical Society 20080409
Structure and activity of Y-class DNA polymerase DPO4 from Sulfolobus solfataricus with templates containing the hydrophobic thymine analog 2,4-difluorotoluene. The Journal of biological chemistry 20071214
Nonpolar nucleobase analogs illuminate requirements for site-specific DNA cleavage by vaccinia topoisomerase. The Journal of biological chemistry 20061124
The difluorotoluene debate--a decade later. Chemical communications (Cambridge, England) 20060921
Polaronic semiconductor behavior of long-range charge transfer in DNA oligomers in solution: controlling barriers to long-distance radical cation migration in DNA with thymine analogs. Faraday discussions 20060101
A thymine isostere in the templating position disrupts assembly of the closed DNA polymerase beta ternary complex. Biochemistry 20051122
The efficiency of hypoxanthine excision by alkyladenine DNA glycosylase is altered by changes in nearest neighbor bases. DNA repair 20050928
A series of nonpolar thymidine analogues of increasing size: DNA base pairing and stacking properties. The Journal of organic chemistry 20050318
Nonlinear breathing modes due to a defect in a DNA chain. Philosophical transactions. Series A, Mathematical, physical, and engineering sciences 20040715
Reactions of halobenzenes with methanol on the microporous solid acids hbeta, HZSM-5, and HSAPO-5: halogenation does not improve the hydrocarbon pool. Langmuir : the ACS journal of surfaces and colloids 20040706
Direct comparison of A- and T-strand minor groove interactions in DNA curvature at A tracts. Biochemistry 20040203
Nonpolar thymine isosteres in the Ty3 polypurine tract DNA template modulate processing and provide a model for its recognition by Ty3 reverse transcriptase. The Journal of biological chemistry 20030718
An unnatural hydrophobic base pair with shape complementarity between pyrrole-2-carbaldehyde and 9-methylimidazo[(4,5)-b]pyridine. Journal of the American Chemical Society 20030507
Kinetics and binding of the thymine-DNA mismatch glycosylase, Mig-Mth, with mismatch-containing DNA substrates. DNA repair 20030102
Effects of hydrogen bonding within a damaged base pair on the activity of wild type and DNA-intercalating mutants of human alkyladenine DNA glycosylase. The Journal of biological chemistry 20020830
A highly effective nonpolar isostere of deoxyguanosine: synthesis, structure, stacking, and base pairing. The Journal of organic chemistry 20020823
The Phe-X-Glu DNA binding motif of MutS. The role of hydrogen bonding in mismatch recognition. The Journal of biological chemistry 20011207
Asymmetric recognition of DNA local distortion. Structure-based functional studies of eukaryotic Msh2-Msh6. The Journal of biological chemistry 20011207
Properties