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2-Chloro-4-fluorobenzotrifluoride

2-Chloro-4-fluorobenzotrifluoride - CAS 94444-58-3

Catalog:	BB041324
Product Name:	2-Chloro-4-fluorobenzotrifluoride
CAS:	94444-58-3
Synonyms:	2-chloro-4-fluoro-1-(trifluoromethyl)benzene; 2-chloro-4-fluoro-1-(trifluoromethyl)benzene

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-4-fluoro-1-(trifluoromethyl)benzene
Description:	2-Chloro-4-fluorobenzotrifluoride (CAS# 94444-58-3) is a useful research chemical.
Molecular Weight:	198.55
Molecular Formula:	C7H3ClF4
Canonical SMILES:	C1=CC(=C(C=C1F)Cl)C(F)(F)F
InChI:	InChI=1S/C7H3ClF4/c8-6-3-4(9)1-2-5(6)7(10,11)12/h1-3H
InChI Key:	UHHZGIHGBLCIJM-UHFFFAOYSA-N
Boiling Point:	102-105 °C
Density:	1.343 g/cm³
LogP:	3.49790

Publication Number	Title	Priority Date
WO-2020140959-A1	6-oxo-1,6-dihydropyridazine derivative, preparation method therefor and medical use thereof	20190104
TW-202039443-A	6-oxo-1,6-dihydropyridazin derivative, a preparation method thereof and a medical use thereof	20190104
CN-112955436-A	6-oxo-1, 6-dihydropyridazine derivatives, preparation method and application thereof in medicines	20190104
KR-20210112336-A	6-oxo-1,6-dihydropyridazine derivatives, methods for their preparation, and medicinal uses thereof	20190104
EP-3581570-A1	Carbazole-pyridine-trifluoromethylphenyl derivatives and related compounds for use as tadf luminescent emitters in oleds	20180615

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Related Functional Groups

Halides

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[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

Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.9859404
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	197.9859404
Rotatable Bond Count:	0
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5