2,4-Difluorotoluene - CAS 452-76-6

Catalog:	BB025815
Product Name:	2,4-Difluorotoluene
CAS:	452-76-6
Synonyms:	2,4-difluoro-1-methylbenzene

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2,4-difluoro-1-methylbenzene
Description:	2,4-Difluorotoluene (CAS# 452-76-6) is a useful research chemical.
Molecular Weight:	128.12
Molecular Formula:	C7H6F2
Canonical SMILES:	CC1=C(C=C(C=C1)F)F
InChI:	InChI=1S/C7H6F2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
InChI Key:	MPXDAIBTYWGBSL-UHFFFAOYSA-N
Boiling Point:	114-116 °C
Purity:	98 %
Density:	1.15 g/cm³
Appearance:	Colorless to light yellow liqui
Storage:	Flammables area
MDL:	MFCD00000322
LogP:	2.27320

Publication Number	Title	Priority Date
US-2021167299-A1	Heterocyclic compound and organic light-emitting device including the same	20191202
US-2021167303-A1	Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the organometallic compound	20191128
WO-2021105101-A1	[(1,5-diphenyl-1h-1,2,4-triazol-3-yl)oxy]acetic acid derivatives and salts thereof, crop protection compositions comprising them, methods for producing them and use thereof as safeners	20191126
US-2021155647-A1	Organometallic compound, organic light-emitting device including organometallic compound, and diagnostic composition including organometallic compound	20191125
EP-3822265-A1	Substituted hydantoinamides as adamts7 antagonists	20191115

PMID	Publication Date	Title	Journal
23125717	20121001	N-[4-(Azetidin-1-ylsulfon-yl)phen-yl]-N-(2,4-difluoro-benz-yl)acetamide	Acta crystallographica. Section E, Structure reports online
22524491	20120821	The steric hypothesis for DNA replication and fluorine hydrogen bonding revisited in light of structural data	Accounts of chemical research
22588824	20120618	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)
22304682	20120221	Structural basis for differential insertion kinetics of dNMPs opposite a difluorotoluene nucleotide residue	Biochemistry
22300089	20120215	Measurement and theory of hydrogen bonding contribution to isosteric DNA base pairs	Journal of the American Chemical Society

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Other Pyrimidines

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GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Danger

Complexity:	92.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.04375652
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	128.04375652
Rotatable Bond Count:	0
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5