1,2,3-Trifluorobenzene - CAS 1489-53-8

Catalog:	BB010353
Product Name:	1,2,3-Trifluorobenzene
CAS:	1489-53-8
Synonyms:	1,2,3-trifluorobenzene

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1,2,3-trifluorobenzene
Description:	1,2,3-Trifluorobenzene (CAS# 1489-53-8) is a useful research chemical.
Molecular Weight:	132.08
Molecular Formula:	C6H3F3
Canonical SMILES:	C1=CC(=C(C(=C1)F)F)F
InChI:	InChI=1S/C6H3F3/c7-4-2-1-3-5(8)6(4)9/h1-3H
InChI Key:	AJKNNUJQFALRIK-UHFFFAOYSA-N
Boiling Point:	94-95 °C
Purity:	95 %
Density:	1.28 g/cm³
Appearance:	Colourless liquid
Storage:	Flammables area
MDL:	MFCD00012013
LogP:	2.10390

Publication Number	Title	Priority Date
WO-2021122719-A1	Large scale process for the preparation of 5-bromopyridin-3-yl-3-deoxy-3-[4-(3,4,5-trifluorophenyl)-1h-1,2,3-triazol-1-yl]- 1-thio-alpha-d-galactopyranoside and a crystalline form thereof	20191216
US-2021135287-A1	Electrolyte for rechargeable lithium battery and rechargeable lithium battery	20191031
EP-3817121-A1	Electrolyte for rechargeable lithium battery, and rechargeable lithium battery comprising the same	20191031
WO-2021081881-A1	Functional carbohydrate molecule based on tdg molecular scaffold, and preparation method therefor	20191031
EP-3796450-A1	Additive, electrolyte for rechargeable lithium battery, and rechargeable lithium battery including the same	20190918

PMID	Publication Date	Title	Journal
22990326	20121028	Pnicogen-π complexes: theoretical study and biological implications	Physical chemistry chemical physics : PCCP
22590257	20120501	2-[7-Chloro-1,1-dioxo-2-(2,4,5-trifluoro-benz-yl)-3,4-dihydro-2H-1,2,4-benzothia-diazin-4-yl]acetic acid	Acta crystallographica. Section E, Structure reports online
22479344	20120101	Structural insights from binding poses of CCR2 and CCR5 with clinically important antagonists: a combined in silico study	PloS one
21900862	20110906	Synthesis, spectroscopic properties and antipathogenic activity of new thiourea derivatives	Molecules (Basel, Switzerland)
21442092	20110521	Competition between Birch reduction and fluorine abstraction in reactions of hydrated electrons (H2O)n(-) with the isomers of di- and trifluorobenzene	Physical chemistry chemical physics : PCCP

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Related Functional Groups

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[151585-93-2]
2-Amino-6-fluorobenzaldehyde
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

Halides

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[111-85-3]
1-Chlorooctane
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[451-46-7]
Ethyl 4-fluorobenzoate
[81290-20-2]
Trimethyl(trifluoromethyl)silane
[67490-21-5]
2,4,6-Tri-tert-butylpyrimidine
[77776-68-2]
2,4,8-Trichloropyrimido[5,4-d]pyrimidine
[1192570-20-9]
2-Morpholino-2-(2-(trifluoromethyl)pyrimidin-5-yl)ethanamine

GHS Hazard Statement:	H225 (97.87%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	84.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.01868458
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	132.01868458
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5