Fluorobenzenes

Organic compounds considered aryl halides that consist of a phenyl group with a fluorine atom substitution in the following structure: C₆H₅F.

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Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride, 95%

CAS: 3939-01-3 MDL Number: MFCD00012799

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Specifications

CAS	3939-01-3
MDL Number	MFCD00012799

2,4,5-Trifluoro-N'-hydroxybenzenecarboximidamide, 97%, Thermo Scientific™

CAS: 690632-34-9 Molecular Formula: C7H5F3N2O Molecular Weight (g/mol): 190.125 MDL Number: MFCD06200878 InChI Key: JWJFTTGUXZRMMI-UHFFFAOYSA-N Synonym: 2,4,5-trifluoro-n-hydroxy-benzamidine,2,4,5-trifluoro-n-hydroxybenzimidamide,hydroxyimino 2,4,5-trifluorophenyl methylamine,z-2,4,5-trifluoro-n'-hydroxybenzene-1-carboximidamide PubChem CID: 9582832 IUPAC Name: 2,4,5-trifluoro-N'-hydroxybenzenecarboximidamide SMILES: C1=C(C(=CC(=C1F)F)F)C(=NO)N

Pricing and Availability
Specifications

PubChem CID	9582832
CAS	690632-34-9
Molecular Weight (g/mol)	190.125
MDL Number	MFCD06200878
SMILES	C1=C(C(=CC(=C1F)F)F)C(=NO)N
Synonym	2,4,5-trifluoro-n-hydroxy-benzamidine,2,4,5-trifluoro-n-hydroxybenzimidamide,hydroxyimino 2,4,5-trifluorophenyl methylamine,z-2,4,5-trifluoro-n'-hydroxybenzene-1-carboximidamide
IUPAC Name	2,4,5-trifluoro-N'-hydroxybenzenecarboximidamide
InChI Key	JWJFTTGUXZRMMI-UHFFFAOYSA-N
Molecular Formula	C7H5F3N2O

trans,trans-4-(3,4-Difluorophenyl)-4'-n-propylbicyclohexyl, 97%

CAS: 82832-57-3 Molecular Formula: C21H30F2 Molecular Weight (g/mol): 320.468 MDL Number: MFCD09838997 InChI Key: FSWZOZXLWVWJAH-UHFFFAOYSA-N Synonym: trans,trans-4-3,4-difluorophenyl-4'-propyl-1,1'-bi cyclohexane,1,2-difluoro-4-4-4-propylcyclohexyl cyclohexyl benzene,trans,trans-4-3,4-difluorophenyl-4-propylbicyclohexyl,trans,trans-4-3,4-difluorophenyl-4'-propyl-bicyclohexyl,4-3,4-difluoro-phenyl-4'-propyl-bicyclohexyl,4-3,4-difluorophenyl-4'-propyl-1,1'-bi cyclohexyl,trans,trans-4-3,4-difluorophenyl-4'-n-propylbicyclohexyl,benzene, 1,2-difluoro-4-trans,trans-4'-propyl 1,1'-bicyclohexyl-4-yl,4-3,4-difluorophenyl-4'-propyl-1,1'-bi cyclohexane,4-3,4-difluorophenyl-4'-propyl-bicyclohexyl PubChem CID: 581325 IUPAC Name: 1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene SMILES: CCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)F)F

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Specifications

PubChem CID	581325
CAS	82832-57-3
Molecular Weight (g/mol)	320.468
MDL Number	MFCD09838997
SMILES	CCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)F)F
Synonym	trans,trans-4-3,4-difluorophenyl-4'-propyl-1,1'-bi cyclohexane,1,2-difluoro-4-4-4-propylcyclohexyl cyclohexyl benzene,trans,trans-4-3,4-difluorophenyl-4-propylbicyclohexyl,trans,trans-4-3,4-difluorophenyl-4'-propyl-bicyclohexyl,4-3,4-difluoro-phenyl-4'-propyl-bicyclohexyl,4-3,4-difluorophenyl-4'-propyl-1,1'-bi cyclohexyl,trans,trans-4-3,4-difluorophenyl-4'-n-propylbicyclohexyl,benzene, 1,2-difluoro-4-trans,trans-4'-propyl 1,1'-bicyclohexyl-4-yl,4-3,4-difluorophenyl-4'-propyl-1,1'-bi cyclohexane,4-3,4-difluorophenyl-4'-propyl-bicyclohexyl
IUPAC Name	1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
InChI Key	FSWZOZXLWVWJAH-UHFFFAOYSA-N
Molecular Formula	C21H30F2

Fluconazole N-Oxide, TRC

CAS: 1997296-62-4 Molecular Formula: C13H12F2N6O2 Molecular Weight (g/mol): 322.27 Synonym: Fluconazole mono-N-Oxide SMILES: OC(Cn1cncn1)(Cn2c[n+]([O-])cn2)c3ccc(F)cc3F

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Specifications

CAS	1997296-62-4
Molecular Weight (g/mol)	322.27
SMILES	OC(Cn1cncn1)(Cn2c[n+]([O-])cn2)c3ccc(F)cc3F
Synonym	Fluconazole mono-N-Oxide
Molecular Formula	C13H12F2N6O2

N-desmethyl Enzalutamide, MedChemExpress

MedChemExpress N-desmethyl Enzalutamide is the active metabolite of Enzalutamide.N-desmethyl Enzalutamide is the active metabolite of Enzalutamide. N-desmethyl Enzalutamide demonstrates primary and secondary pharmacodynamics of similar potency to Enzalutamide and circulates at approximately the same plasma concentrations as enzalutamide.

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Specifications

Molecular Weight (g/mol)	450.41
Color	Off-White
Physical Form	Solid
Chemical Name or Material	N-desmethyl Enzalutamide
Grade	Research
SMILES	S=C(N1C2=CC(F)=C(C(N)=O)C=C2)N(C3=CC=C(C(C(F)(F)F)=C3)C#N)C(C(C)1C)=O
For Use With (Application)	Cancer-programmed cell death
Percent Purity	96.97%
CAS	1242137-16-1
Solubility Information	DMSO : 100 mg/mL (222.02 mM; Need ultrasonic)
Synonym	N-desmethyl MDV 3100
Purity Grade Notes	Research
Recommended Storage	Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life	Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula	C₂₀H₁₄F₄N₄O₂S
Formula Weight	450.41

N-Desethyl Sunitinib, MedChemExpress

MedChemExpress N-Desethyl Sunitinib (SU-12662) is a metabolite of sunitinib. Sunitinib is a potent, ATP-competitive VEGFR, PDGFRβ and KIT inhibitor with Ki values of 2, 9, 17, 8 and 4 nM for VEGFR -1, -2, -3, PDGFRβ and KIT, respectively.

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Specifications

Molecular Weight (g/mol)	370.42
Color	Orange
Physical Form	Powder
Chemical Name or Material	N-Desethyl Sunitinib
Grade	Research
SMILES	O=C1NC2=CC=C(F)C=C2/C1=C/C3=C(C)C(C(NCCNCC)=O)=C(C)N3
For Use With (Application)	Cancer-Kinase/protease
Percent Purity	99.63%
CAS	356068-97-8
Solubility Information	DMSO : 6.25 mg/mL (16.87 mM; ultrasonic and warming and heat to 60°C)
Synonym	SU-12662
Purity Grade Notes	Research
Recommended Storage	Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life	Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula	C₂₀H₂₃FN₄O₂
Formula Weight	370.42

Regorafénib N-oxyde (M2), MedChemExpress

MedChemExpress Regorafénib N-oxyde M2 is an active metabolite of Regorafenib. Regorafenib is a multi-target inhibitor for VEGFR1/2/3, PDGFRβ, Kit, RET and Raf-1 with IC50s of 13/4.2/46, 22, 7, 1.5 and 2.5 nM, respectively.

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Specifications

Molecular Weight (g/mol)	498.81
Color	Light Yellow
Physical Form	Solid
Chemical Name or Material	Regorafénib N-oxyde (M2)
Grade	Research
SMILES	FC1=CC(OC2=CC=[N+]([O-])C(C(NC)=O)=C2)=CC=C1NC(NC3=CC(C(F)(F)F)=C(Cl)C=C3)=O
For Use With (Application)	Cancer-programmed cell death
Percent Purity	98.01%
CAS	835621-11-9
Solubility Information	DMSO : 50 mg/mL (100.24 mM; Need ultrasonic)
Purity Grade Notes	Research
Recommended Storage	Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life	Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula	C₂₁H₁₅ClF₄N₄O₄
Formula Weight	498.81

4-Fluorobenzyl mercaptan, 96%

CAS: 15894-04-9 Molecular Formula: C7H7FS Molecular Weight (g/mol): 142.191 MDL Number: MFCD00040724 InChI Key: RKTRHMNWVZRZJQ-UHFFFAOYSA-N Synonym: 4-fluorobenzyl mercaptan,4-fluorophenyl methanethiol,4-fluorobenzylmercaptan,4-fluoro benzyl mercaptan,4-fluorobenzenemethanethiol,p-fluorotoluene-alpha-thiol,benzenemethanethiol, 4-fluoro,4-fluoro-phenyl-methanethiol,4-fluorobenzylthiol,4-fluorobenzyl thiol PubChem CID: 85171 IUPAC Name: (4-fluorophenyl)methanethiol SMILES: C1=CC(=CC=C1CS)F

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Specifications

PubChem CID	85171
CAS	15894-04-9
Molecular Weight (g/mol)	142.191
MDL Number	MFCD00040724
SMILES	C1=CC(=CC=C1CS)F
Synonym	4-fluorobenzyl mercaptan,4-fluorophenyl methanethiol,4-fluorobenzylmercaptan,4-fluoro benzyl mercaptan,4-fluorobenzenemethanethiol,p-fluorotoluene-alpha-thiol,benzenemethanethiol, 4-fluoro,4-fluoro-phenyl-methanethiol,4-fluorobenzylthiol,4-fluorobenzyl thiol
IUPAC Name	(4-fluorophenyl)methanethiol
InChI Key	RKTRHMNWVZRZJQ-UHFFFAOYSA-N
Molecular Formula	C7H7FS

4-Fluorobenzyl isocyanate, 98%

CAS: 132740-43-3 Molecular Formula: C8H6FNO Molecular Weight (g/mol): 151.14 MDL Number: MFCD00673062 InChI Key: HHSIWJYERNCLKQ-UHFFFAOYSA-N Synonym: 4-fluorobenzyl isocyanate,1-fluoro-4-isocyanatomethyl benzene,4-fluorobenzylisocyanate,4-fluorophenyl methanisocyanate,4-fluorobezylisocyanate,acmc-1c0to,intermediates-zcf02017,4-fluoro benzyl isocyanate,4-fluorophenyl methyl isocyanate PubChem CID: 2733376 IUPAC Name: 1-fluoro-4-(isocyanatomethyl)benzene SMILES: FC1=CC=C(CN=C=O)C=C1

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Specifications

PubChem CID	2733376
CAS	132740-43-3
Molecular Weight (g/mol)	151.14
MDL Number	MFCD00673062
SMILES	FC1=CC=C(CN=C=O)C=C1
Synonym	4-fluorobenzyl isocyanate,1-fluoro-4-isocyanatomethyl benzene,4-fluorobenzylisocyanate,4-fluorophenyl methanisocyanate,4-fluorobezylisocyanate,acmc-1c0to,intermediates-zcf02017,4-fluoro benzyl isocyanate,4-fluorophenyl methyl isocyanate
IUPAC Name	1-fluoro-4-(isocyanatomethyl)benzene
InChI Key	HHSIWJYERNCLKQ-UHFFFAOYSA-N
Molecular Formula	C8H6FNO

1,2-Difluorobenzene, 98+%

CAS: 367-11-3 Molecular Formula: C6H4F2 Molecular Weight (g/mol): 114.10 MDL Number: MFCD00000284 InChI Key: GOYDNIKZWGIXJT-UHFFFAOYSA-N Synonym: o-difluorobenzene,benzene, 1,2-difluoro,benzene, o-difluoro,ortho-difluorobenzene,o-difluoro benzene,difluorobenzene,1,2-difluoro-benzene,unii-aw7qgmw29c,aw7qgmw29c,0-difluorobenzene PubChem CID: 9706 ChEBI: CHEBI:38583 IUPAC Name: 1,2-difluorobenzene SMILES: FC1=CC=CC=C1F

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Specifications

PubChem CID	9706
CAS	367-11-3
Molecular Weight (g/mol)	114.10
ChEBI	CHEBI:38583
MDL Number	MFCD00000284
SMILES	FC1=CC=CC=C1F
Synonym	o-difluorobenzene,benzene, 1,2-difluoro,benzene, o-difluoro,ortho-difluorobenzene,o-difluoro benzene,difluorobenzene,1,2-difluoro-benzene,unii-aw7qgmw29c,aw7qgmw29c,0-difluorobenzene
IUPAC Name	1,2-difluorobenzene
InChI Key	GOYDNIKZWGIXJT-UHFFFAOYSA-N
Molecular Formula	C6H4F2

2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane, 95%

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2-Chloro-6-fluorobenzaldoxime, 97%

CAS: 443-33-4 Molecular Formula: C7H5ClFNO Molecular Weight (g/mol): 173.57 MDL Number: MFCD00837704 InChI Key: OBJHLLOVMKKXDI-ONNFQVAWSA-N Synonym: 2-chloro-6-fluorobenzaldehyde oxime,2-chloro-6-fluorobenzaldoxime,6-chloro-2-fluorophenyl hydroxyimino methane,pubchem2883,e-n-2-chloro-6-fluorophenyl methylidene hydroxylamine,1e-2-chloro-6-fluorobenzaldehyde oxime,e-1-2-chloro-6-fluorophenyl-n-hydroxymethanimine,ne-n-2-chloro-6-fluorophenyl methylidene hydroxylamine,ne-n-2-chloranyl-6-fluoranyl-phenyl methylidene hydroxylamine PubChem CID: 7329318 SMILES: O\N=C\C1=C(F)C=CC=C1Cl

Pricing and Availability
Specifications

PubChem CID	7329318
CAS	443-33-4
Molecular Weight (g/mol)	173.57
MDL Number	MFCD00837704
SMILES	O\N=C\C1=C(F)C=CC=C1Cl
Synonym	2-chloro-6-fluorobenzaldehyde oxime,2-chloro-6-fluorobenzaldoxime,6-chloro-2-fluorophenyl hydroxyimino methane,pubchem2883,e-n-2-chloro-6-fluorophenyl methylidene hydroxylamine,1e-2-chloro-6-fluorobenzaldehyde oxime,e-1-2-chloro-6-fluorophenyl-n-hydroxymethanimine,ne-n-2-chloro-6-fluorophenyl methylidene hydroxylamine,ne-n-2-chloranyl-6-fluoranyl-phenyl methylidene hydroxylamine
InChI Key	OBJHLLOVMKKXDI-ONNFQVAWSA-N
Molecular Formula	C7H5ClFNO

Tributyl(4-fluorophenyl)stannane, 95%, Thermo Scientific™

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4-(Boc-aminomethyl)-3-fluorobenzeneboronic acid pinacol ester, 96%, Thermo Scientific Chemicals

CAS: 1351501-44-4 Molecular Formula: C18H27BFNO4 Molecular Weight (g/mol): 351.225 InChI Key: SAUVAJYHMCIQNE-UHFFFAOYSA-N Synonym: 4-(Boc-aminomethyl)-3-fluorophenylboronic acid pinacol ester PubChem CID: 66980292 IUPAC Name: tert-butyl N-[[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)CNC(=O)OC(C)(C)C)F

Pricing and Availability
Specifications

PubChem CID	66980292
CAS	1351501-44-4
Molecular Weight (g/mol)	351.225
SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)CNC(=O)OC(C)(C)C)F
Synonym	4-(Boc-aminomethyl)-3-fluorophenylboronic acid pinacol ester
IUPAC Name	tert-butyl N-[[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate
InChI Key	SAUVAJYHMCIQNE-UHFFFAOYSA-N
Molecular Formula	C18H27BFNO4

Pentafluorobenzonitrile, 99%

CAS: 773-82-0 Molecular Formula: C₇F₅N Molecular Weight (g/mol): 193.07 InChI Key: YXWJGZQOGXGSSC-UHFFFAOYSA-N Synonym: pentafluorobenzonitrile,perfluorobenzonitrile,benzonitrile, pentafluoro,pentafluorocyanobenzene,benzonitrile, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluoro benzonitrile,2,3,4,5,6-pentafluorobenzenecarbonitrile,cyanopentafluorobenzene,pubchem2319,acmc-209p9k PubChem CID: 69882 IUPAC Name: 2,3,4,5,6-pentafluorobenzonitrile SMILES: C(#N)C1=C(C(=C(C(=C1F)F)F)F)F

Pricing and Availability
Specifications

PubChem CID	69882
CAS	773-82-0
Molecular Weight (g/mol)	193.07
SMILES	C(#N)C1=C(C(=C(C(=C1F)F)F)F)F
Synonym	pentafluorobenzonitrile,perfluorobenzonitrile,benzonitrile, pentafluoro,pentafluorocyanobenzene,benzonitrile, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluoro benzonitrile,2,3,4,5,6-pentafluorobenzenecarbonitrile,cyanopentafluorobenzene,pubchem2319,acmc-209p9k
IUPAC Name	2,3,4,5,6-pentafluorobenzonitrile
InChI Key	YXWJGZQOGXGSSC-UHFFFAOYSA-N
Molecular Formula	C₇F₅N

Fluorobenzenes

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