4-Fluoro-2-(trifluoromethyl)benzoyl chloride - CAS 189807-21-4

Catalog:	BB014673
Product Name:	4-Fluoro-2-(trifluoromethyl)benzoyl chloride
CAS:	189807-21-4
Synonyms:	4-fluoro-2-(trifluoromethyl)benzoyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-fluoro-2-(trifluoromethyl)benzoyl chloride
Description:	4-Fluoro-2-(trifluoromethyl)benzoyl chloride (CAS# 189807-21-4) is a useful research chemical.
Molecular Weight:	226.56
Molecular Formula:	C8H3ClF4O
Canonical SMILES:	C1=CC(=C(C=C1F)C(F)(F)F)C(=O)Cl
InChI:	InChI=1S/C8H3ClF4O/c9-7(14)5-2-1-4(10)3-6(5)8(11,12)13/h1-3H
InChI Key:	OEYHURRIOWWRMD-UHFFFAOYSA-N
Boiling Point:	157 °C
Purity:	95 %
Density:	1.49 g/cm³
Appearance:	Clear colorless to yellow liquid
MDL:	MFCD00061158
LogP:	3.22350

Publication Number	Title	Priority Date
WO-2020072492-A1	Benzamide derivatives as cgas-sting pathway agonists	20181002
CN-112888688-A	Benzamide derivatives as CGAS-STING pathway agonists	20181002
AU-2018328768-A1	Inhibitors of WDR5 protein-protein binding	20170906
CA-3073977-A1	Inhibitors of wdr5 protein-protein binding	20170906
WO-2019046944-A1	INHIBITORS OF PROTEIN BINDING WDR5-PROTEIN	20170906

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

Fluorinated Building Blocks

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[861225-50-5]
4-Chloro-4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione
[1328640-88-5]
5-((2,2-Difluoroethoxy)methyl)-1-methyl-3-nitro-1H-pyrazole
[51516-70-2]
5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile
[1169993-37-6]
5-Cyclopropyl-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[452-76-6]
2,4-Difluorotoluene
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[351-28-0]
3'-Fluoroacetanilide
[451-46-7]
Ethyl 4-fluorobenzoate
[81290-20-2]
Trimethyl(trifluoromethyl)silane

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	228
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.9808551
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	225.9808551
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4