2,3,4-Trifluorotoluene - CAS 193533-92-5

Catalog:	BB014980
Product Name:	2,3,4-Trifluorotoluene
CAS:	193533-92-5
Synonyms:	1,2,3-trifluoro-4-methylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1,2,3-trifluoro-4-methylbenzene
Description:	2,3,4-Trifluorotoluene (CAS# 193533-92-5) is a useful research chemical.
Molecular Weight:	146.11
Molecular Formula:	C7H5F3
Canonical SMILES:	CC1=C(C(=C(C=C1)F)F)F
InChI:	InChI=1S/C7H5F3/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,1H3
InChI Key:	LRQPEHJWTXCLQY-UHFFFAOYSA-N
Boiling Point:	126-127 °C
Purity:	98 %
Density:	1.222 g/cm³
Appearance:	Colorless to light yellow liqui
MDL:	MFCD00075194
LogP:	2.41230

Publication Number	Title	Priority Date
KR-20210029119-A	Energy Storage Module	20200904
KR-20210029120-A	Energy Storage Module	20200904
KR-20210029121-A	Energy Storage Module	20200904
WO-2021210775-A1	Electrolyte for lithium secondary battery and lithium secondary battery comprising same	20200414
WO-2021194098-A1	Lithium secondary battery	20200326

PMID	Publication Date	Title	Journal
19662135	20070905	Synthesis of Novel 3-Aryl-N-Methyl-1,2,5,6-Tetrahydropyridine Derivatives by Suzuki coupling: As Acetyl Cholinesterase Inhibitors	The open medicinal chemistry journal

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Related Functional Groups

Fluorinated Building Blocks

[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[452-76-6]
2,4-Difluorotoluene
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[151585-93-2]
2-Amino-6-fluorobenzaldehyde
[1597-32-6]
2-Amino-6-fluoropyridine
[459836-92-1]
3,6-Difluoro-2-methylbenzoic acid

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[111-85-3]
1-Chlorooctane
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde
[712347-12-1]
3-(2-Chloro-6-fluorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[351-28-0]
3'-Fluoroacetanilide
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[551-62-2]
1,2,3,4-Tetrafluorobenzene
[860790-29-0]
N-[4-Cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
[932236-53-8]
3-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine

GHS Hazard Statement:	H226 (97.56%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	115
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.03433465
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	146.03433465
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6