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

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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

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

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O-(2,3,4,5,6-Pentafluorobenzyl)hydroxylamine hydrochloride, 99+%

CAS: 57981-02-9 Molecular Formula: C7H5ClF5NO Molecular Weight (g/mol): 249.57 MDL Number: MFCD00012953 InChI Key: HVMVKNXIMUCYJA-UHFFFAOYSA-N Synonym: o-2,3,4,5,6-pentafluorobenzyl hydroxylamine hydrochloride,florox reagent,o-perfluorophenyl methyl hydroxylamine hydrochloride,hydroxylamine, o-pentafluorophenyl methyl-, hydrochloride,o-pentafluorobenzyl hydroxylamine hydrochloride,o-2,3,4,5,6-pentafluorophenyl methyl hydroxylamine hydrochloride,oxy 2,3,4,5,6-pentafluorophenyl methyl amine, chloride,pfbha.hcl,acmc-1b0zv PubChem CID: 122307 IUPAC Name: O-[(2,3,4,5,6-pentafluorophenyl)methyl]hydroxylamine;hydrochloride SMILES: [H+].[Cl-].NOCC1=C(F)C(F)=C(F)C(F)=C1F

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Specifications

PubChem CID	122307
CAS	57981-02-9
Molecular Weight (g/mol)	249.57
MDL Number	MFCD00012953
SMILES	[H+].[Cl-].NOCC1=C(F)C(F)=C(F)C(F)=C1F
Synonym	o-2,3,4,5,6-pentafluorobenzyl hydroxylamine hydrochloride,florox reagent,o-perfluorophenyl methyl hydroxylamine hydrochloride,hydroxylamine, o-pentafluorophenyl methyl-, hydrochloride,o-pentafluorobenzyl hydroxylamine hydrochloride,o-2,3,4,5,6-pentafluorophenyl methyl hydroxylamine hydrochloride,oxy 2,3,4,5,6-pentafluorophenyl methyl amine, chloride,pfbha.hcl,acmc-1b0zv
IUPAC Name	O-[(2,3,4,5,6-pentafluorophenyl)methyl]hydroxylamine;hydrochloride
InChI Key	HVMVKNXIMUCYJA-UHFFFAOYSA-N
Molecular Formula	C7H5ClF5NO

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

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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

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

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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

4-Fluorophthalonitrile, 98%

CAS: 65610-14-2 Molecular Formula: C8H3FN2 Molecular Weight (g/mol): 146.124 MDL Number: MFCD00210430 InChI Key: QQEKYCCJLSRLEC-UHFFFAOYSA-N Synonym: 4-fluorophthalonitrile,1,2-benzenedicarbonitrile, 4-fluoro,4-fluorophthalodinitrile,1,2-dicyano-4-fluorobenzene,4-fluoro-phthalonitrile,2-cyano-5-fluorobenzonitrile,4-fluorophthalonitrle,pubchem4027,acmc-1bb7s PubChem CID: 103423 IUPAC Name: 4-fluorobenzene-1,2-dicarbonitrile SMILES: C1=CC(=C(C=C1F)C#N)C#N

Pricing and Availability
Specifications

PubChem CID	103423
CAS	65610-14-2
Molecular Weight (g/mol)	146.124
MDL Number	MFCD00210430
SMILES	C1=CC(=C(C=C1F)C#N)C#N
Synonym	4-fluorophthalonitrile,1,2-benzenedicarbonitrile, 4-fluoro,4-fluorophthalodinitrile,1,2-dicyano-4-fluorobenzene,4-fluoro-phthalonitrile,2-cyano-5-fluorobenzonitrile,4-fluorophthalonitrle,pubchem4027,acmc-1bb7s
IUPAC Name	4-fluorobenzene-1,2-dicarbonitrile
InChI Key	QQEKYCCJLSRLEC-UHFFFAOYSA-N
Molecular Formula	C8H3FN2

2-Amino-3-fluorobenzonitrile, 95%

CAS: 115661-37-5 Molecular Formula: C7H5FN2 Molecular Weight (g/mol): 136.129 InChI Key: UNISSOLHERSZOW-UHFFFAOYSA-N PubChem CID: 2783392 IUPAC Name: 2-amino-3-fluorobenzonitrile SMILES: C1=CC(=C(C(=C1)F)N)C#N

Pricing and Availability
Specifications

PubChem CID	2783392
CAS	115661-37-5
Molecular Weight (g/mol)	136.129
SMILES	C1=CC(=C(C(=C1)F)N)C#N
IUPAC Name	2-amino-3-fluorobenzonitrile
InChI Key	UNISSOLHERSZOW-UHFFFAOYSA-N
Molecular Formula	C7H5FN2

Tetrafluoroisophthalonitrile, 97%

CAS: 2377-81-3 Molecular Formula: C8F4N2 Molecular Weight (g/mol): 200.10 MDL Number: MFCD00013290 InChI Key: WVHMPQKZPHOCRD-UHFFFAOYSA-N Synonym: tetrafluoroisophthalonitrile,2,4,5,6-tetrafluoroisophthalonitrile,perfluoroisophthalonitrile,tetrafluorobenzene-1,3-dicarbonitrile,1,3-benzenedicarbonitrile, 2,4,5,6-tetrafluoro,tetrafluoroisopthalonitrile,m-dicyanotetrafluorobenzene,acmc-209g5p,1,3-dicyanoperfluorobenzene PubChem CID: 608182 SMILES: FC1=C(F)C(C#N)=C(F)C(C#N)=C1F

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Specifications

PubChem CID	608182
CAS	2377-81-3
Molecular Weight (g/mol)	200.10
MDL Number	MFCD00013290
SMILES	FC1=C(F)C(C#N)=C(F)C(C#N)=C1F
Synonym	tetrafluoroisophthalonitrile,2,4,5,6-tetrafluoroisophthalonitrile,perfluoroisophthalonitrile,tetrafluorobenzene-1,3-dicarbonitrile,1,3-benzenedicarbonitrile, 2,4,5,6-tetrafluoro,tetrafluoroisopthalonitrile,m-dicyanotetrafluorobenzene,acmc-209g5p,1,3-dicyanoperfluorobenzene
InChI Key	WVHMPQKZPHOCRD-UHFFFAOYSA-N
Molecular Formula	C8F4N2

2-bromo-5-fluorophenyl isothiocyanate, Thermo Scientific™

CAS: 175205-35-3 Molecular Formula: C7H3BrFNS Molecular Weight (g/mol): 232.07 MDL Number: MFCD00673194 InChI Key: SSLVXFSUADEZBQ-UHFFFAOYSA-N Synonym: 2-bromo-4-fluorophenyl isothiocyanate,2-bromo-4-fluorophenylisothiocyanate,pubchem5018,acmc-20ao2g,2-bromo-4-fluorobenzenisothiocyanate,benzene,1-bromo-4-fluoro-2-isothiocyanato,2-bromo-4-fluorophenyl isothiocyanate, tech.,benzene, 2-bromo-4-fluoro-1-isothiocyanato,2-bromanyl-4-fluoranyl-1-isothiocyanato-benzene,benzene, 2-bromo-4-fluoro-1-isothiocyanato-9ci PubChem CID: 2736332 IUPAC Name: 2-bromo-4-fluoro-1-isothiocyanatobenzene SMILES: FC1=CC=C(N=C=S)C(Br)=C1

Pricing and Availability
Specifications

PubChem CID	2736332
CAS	175205-35-3
Molecular Weight (g/mol)	232.07
MDL Number	MFCD00673194
SMILES	FC1=CC=C(N=C=S)C(Br)=C1
Synonym	2-bromo-4-fluorophenyl isothiocyanate,2-bromo-4-fluorophenylisothiocyanate,pubchem5018,acmc-20ao2g,2-bromo-4-fluorobenzenisothiocyanate,benzene,1-bromo-4-fluoro-2-isothiocyanato,2-bromo-4-fluorophenyl isothiocyanate, tech.,benzene, 2-bromo-4-fluoro-1-isothiocyanato,2-bromanyl-4-fluoranyl-1-isothiocyanato-benzene,benzene, 2-bromo-4-fluoro-1-isothiocyanato-9ci
IUPAC Name	2-bromo-4-fluoro-1-isothiocyanatobenzene
InChI Key	SSLVXFSUADEZBQ-UHFFFAOYSA-N
Molecular Formula	C7H3BrFNS

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