2-Fluoro-6-(trifluoromethyl)benzoyl chloride - CAS 109227-12-5

Name: 2-Fluoro-6-(trifluoromethyl)benzoyl chloride
Brand: BOC Sciences
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Catalog:	BB002393
Product Name:	2-Fluoro-6-(trifluoromethyl)benzoyl chloride
CAS:	109227-12-5
Synonyms:	2-fluoro-6-(trifluoromethyl)benzoyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-fluoro-6-(trifluoromethyl)benzoyl chloride
Description:	2-Fluoro-6-(trifluoromethyl)benzoyl chloride (CAS# 109227-12-5) is a useful research chemical.
Molecular Weight:	226.56
Molecular Formula:	C8H3ClF4O
Canonical SMILES:	C1=CC(=C(C(=C1)F)C(=O)Cl)C(F)(F)F
InChI:	InChI=1S/C8H3ClF4O/c9-7(14)6-4(8(11,12)13)2-1-3-5(6)10/h1-3H
InChI Key:	ZDRYDSJMVRRAAF-UHFFFAOYSA-N
Boiling Point:	193 °C
Purity:	95 %
Density:	1.475 g/cm³
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00061160
LogP:	3.22350

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Fluorinated Building Blocks

[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid
[151585-93-2]C7H6FNO
2-Amino-6-fluorobenzaldehyde
[459836-92-1]C8H6F2O2
3,6-Difluoro-2-methylbenzoic acid
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[2091593-59-6]C9H10F3NO
3-methoxy-6-methyl-2-(trifluoromethyl)aniline

Other Pyrimidines

[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[1489-53-8]C6H3F3
1,2,3-Trifluorobenzene
[67490-21-5]C16H28N2
2,4,6-Tri-tert-butylpyrimidine
[77776-68-2]C6HCl3N4
2,4,8-Trichloropyrimido[5,4-d]pyrimidine
[246847-98-3]C5H4ClFN2
2-Amino-5-chloro-3-fluoropyridine
[45867-11-6]C5H4ClN3O2
2-Amino-5-chloro-4-pyrimidinecarboxylic acid

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

Publication Number	Title	Priority Date
CN-112679374-A	Preparation method of 2-fluoro-6- (trifluoromethyl) benzamide	20210112
WO-2020222118-A1	Esters of non- aromatic heterocyclic compounds having a nematocidal activity, their agronomic compositions and use thereof.	20190430
US-2020181128-A1	3-hydroxy-imidazolidin-4-one compounds as inhibitors of indoleamine 2,3-dioxygenase	20170901
WO-2019043103-A1	3-HYDROXY-IMIDAZOLIDIN-4-ONE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE	20170901
EP-3676263-A1	3-hydroxy-imidazolidin-4-one compounds as inhibitors of indoleamine 2,3-dioxygenase	20170901

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