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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Sodium tetrakis(4-fluorophenyl)borate dihydrate, 98%

CAS: 207683-22-5 Molecular Formula: C24H20BF4NaO2 Molecular Weight (g/mol): 450.215 MDL Number: MFCD00149598 InChI Key: MSDGDEJOIBMWJD-UHFFFAOYSA-N Synonym: sodium tetrakis 4-fluorophenyl borate dihydrate,cesibor,tetrakis 4-fluorophenyl boron sodium,sodium tetrakis 4-fluorophenyl boranuide dihydrate,sodium tetrakis 4-fluorophenyl borate dihydrate nt,sodium tetrakis 4-fluorophenyl borate dihydrate, selectophore tm PubChem CID: 45073643 IUPAC Name: sodium;tetrakis(4-fluorophenyl)boranuide;dihydrate SMILES: [B-](C1=CC=C(C=C1)F)(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.O.O.[Na+]

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PubChem CID	45073643
CAS	207683-22-5
Molecular Weight (g/mol)	450.215
MDL Number	MFCD00149598
SMILES	[B-](C1=CC=C(C=C1)F)(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.O.O.[Na+]
Synonym	sodium tetrakis 4-fluorophenyl borate dihydrate,cesibor,tetrakis 4-fluorophenyl boron sodium,sodium tetrakis 4-fluorophenyl boranuide dihydrate,sodium tetrakis 4-fluorophenyl borate dihydrate nt,sodium tetrakis 4-fluorophenyl borate dihydrate, selectophore tm
IUPAC Name	sodium;tetrakis(4-fluorophenyl)boranuide;dihydrate
InChI Key	MSDGDEJOIBMWJD-UHFFFAOYSA-N
Molecular Formula	C24H20BF4NaO2

Ethyl 2-fluorophenylacetate, 99%, Thermo Scientific Chemicals

CAS: 584-74-7 Molecular Formula: C10H11FO2 Molecular Weight (g/mol): 182.194 MDL Number: MFCD04039343 InChI Key: OFWMNCYZASDVSS-UHFFFAOYSA-N Synonym: ethyl 2-2-fluorophenyl acetate,ethyl 2-fluorophenylacetate,ethyl 2-fluorophenyl acetate,2-fluorophenylacetic acid ethyl ester,benzeneacetic acid, 2-fluoro-, ethyl ester,acmc-209uz7,ethyl 2-fluorobenzeneacetate PubChem CID: 7578179 IUPAC Name: ethyl 2-(2-fluorophenyl)acetate SMILES: CCOC(=O)CC1=CC=CC=C1F

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PubChem CID	7578179
CAS	584-74-7
Molecular Weight (g/mol)	182.194
MDL Number	MFCD04039343
SMILES	CCOC(=O)CC1=CC=CC=C1F
Synonym	ethyl 2-2-fluorophenyl acetate,ethyl 2-fluorophenylacetate,ethyl 2-fluorophenyl acetate,2-fluorophenylacetic acid ethyl ester,benzeneacetic acid, 2-fluoro-, ethyl ester,acmc-209uz7,ethyl 2-fluorobenzeneacetate
IUPAC Name	ethyl 2-(2-fluorophenyl)acetate
InChI Key	OFWMNCYZASDVSS-UHFFFAOYSA-N
Molecular Formula	C10H11FO2

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

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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

3,5-Difluoroaniline, 98%

CAS: 372-39-4 Molecular Formula: C₆H₅F₂N Molecular Weight (g/mol): 129.11 MDL Number: MFCD00007763 InChI Key: KQOIBXZRCYFZSO-UHFFFAOYSA-N Synonym: benzenamine, 3,5-difluoro,3,5-difluorobenzenamine,3,5-difluorophenylamine,5an,3,5-difluoranilin,3,5-difluoroanilin,3,5 difluoroaniline,3.5-difluoroaniline,pubchem2296,3, 5-difluoroaniline PubChem CID: 96595 IUPAC Name: 3,5-difluoroaniline SMILES: C1=C(C=C(C=C1F)F)N

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Specifications

PubChem CID	96595
CAS	372-39-4
Molecular Weight (g/mol)	129.11
MDL Number	MFCD00007763
SMILES	C1=C(C=C(C=C1F)F)N
Synonym	benzenamine, 3,5-difluoro,3,5-difluorobenzenamine,3,5-difluorophenylamine,5an,3,5-difluoranilin,3,5-difluoroanilin,3,5 difluoroaniline,3.5-difluoroaniline,pubchem2296,3, 5-difluoroaniline
IUPAC Name	3,5-difluoroaniline
InChI Key	KQOIBXZRCYFZSO-UHFFFAOYSA-N
Molecular Formula	C₆H₅F₂N

1-Chloro-2-fluorobenzene, 98+%

CAS: 348-51-6 Molecular Formula: C6H4ClF Molecular Weight (g/mol): 130.55 MDL Number: MFCD00000533 InChI Key: ZCJAYDKWZAWMPR-UHFFFAOYSA-N Synonym: 2-chlorofluorobenzene,o-chlorofluorobenzene,benzene, 1-chloro-2-fluoro,o-fluorochlorobenzene,1-fluoro-2-chlorobenzene,1-chloro-2-fluoro-benzene,benzene, chlorofluoro,2-chloro-1-fluorobenzene,chlorofluorobenzene,2-fluorochlorobenzene PubChem CID: 9583 IUPAC Name: 1-chloro-2-fluorobenzene SMILES: FC1=CC=CC=C1Cl

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PubChem CID	9583
CAS	348-51-6
Molecular Weight (g/mol)	130.55
MDL Number	MFCD00000533
SMILES	FC1=CC=CC=C1Cl
Synonym	2-chlorofluorobenzene,o-chlorofluorobenzene,benzene, 1-chloro-2-fluoro,o-fluorochlorobenzene,1-fluoro-2-chlorobenzene,1-chloro-2-fluoro-benzene,benzene, chlorofluoro,2-chloro-1-fluorobenzene,chlorofluorobenzene,2-fluorochlorobenzene
IUPAC Name	1-chloro-2-fluorobenzene
InChI Key	ZCJAYDKWZAWMPR-UHFFFAOYSA-N
Molecular Formula	C6H4ClF

2,6-Difluoroaniline, 98%

CAS: 5509-65-9 Molecular Formula: C6H5F2N Molecular Weight (g/mol): 129.11 MDL Number: MFCD00007655 InChI Key: ODUZJBKKYBQIBX-UHFFFAOYSA-N Synonym: benzenamine, 2,6-difluoro,2,6-difluoro-phenylamine,2,6-difluoro aniline,2,6-difluorobenzenamine,2,6-difluoranilin,2,6 difluoroaniline,2,6-diflouroaniline,pubchem4034,2,6-difuluoroaniline PubChem CID: 79647 IUPAC Name: 2,6-difluoroaniline SMILES: NC1=C(F)C=CC=C1F

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Specifications

PubChem CID	79647
CAS	5509-65-9
Molecular Weight (g/mol)	129.11
MDL Number	MFCD00007655
SMILES	NC1=C(F)C=CC=C1F
Synonym	benzenamine, 2,6-difluoro,2,6-difluoro-phenylamine,2,6-difluoro aniline,2,6-difluorobenzenamine,2,6-difluoranilin,2,6 difluoroaniline,2,6-diflouroaniline,pubchem4034,2,6-difuluoroaniline
IUPAC Name	2,6-difluoroaniline
InChI Key	ODUZJBKKYBQIBX-UHFFFAOYSA-N
Molecular Formula	C6H5F2N

Bromopentafluorobenzene, 99%

CAS: 344-04-7 Molecular Formula: C6BrF5 Molecular Weight (g/mol): 246.96 MDL Number: MFCD00000287 InChI Key: XEKTVXADUPBFOA-UHFFFAOYSA-N Synonym: bromopentafluorobenzene,pentafluorobromobenzene,benzene, bromopentafluoro,bromoperfluorobenzene,pentafluorophenyl bromide,2,3,4,5,6-pentafluorobromobenzene,benzene, 1-bromo-2,3,4,5,6-pentafluoro,1-bromo-pentafluorobenzene,2,3,4,5,6-bromopentafluorobenzene,1-bromo-2,3,4,5,6-pentafluoro-benzene PubChem CID: 9578 IUPAC Name: 1-bromo-2,3,4,5,6-pentafluorobenzene SMILES: FC1=C(F)C(F)=C(Br)C(F)=C1F

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Specifications

PubChem CID	9578
CAS	344-04-7
Molecular Weight (g/mol)	246.96
MDL Number	MFCD00000287
SMILES	FC1=C(F)C(F)=C(Br)C(F)=C1F
Synonym	bromopentafluorobenzene,pentafluorobromobenzene,benzene, bromopentafluoro,bromoperfluorobenzene,pentafluorophenyl bromide,2,3,4,5,6-pentafluorobromobenzene,benzene, 1-bromo-2,3,4,5,6-pentafluoro,1-bromo-pentafluorobenzene,2,3,4,5,6-bromopentafluorobenzene,1-bromo-2,3,4,5,6-pentafluoro-benzene
IUPAC Name	1-bromo-2,3,4,5,6-pentafluorobenzene
InChI Key	XEKTVXADUPBFOA-UHFFFAOYSA-N
Molecular Formula	C6BrF5

3,4-Difluorobenzylzinc bromide, 0.5M in THF, packaged under Argon in resealable ChemSeal™ bottles

CAS: 307496-34-0 Molecular Formula: C7H5BrF2Zn Molecular Weight (g/mol): 272.398 MDL Number: MFCD01311420 InChI Key: NXKQWSPHMLPJIC-UHFFFAOYSA-M Synonym: zinc 2+ ion 3,4-difluorophenyl methanide bromide PubChem CID: 57371133 SMILES: [CH2-]C1=CC(=C(C=C1)F)F.[Zn+2].[Br-]

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Specifications

PubChem CID	57371133
CAS	307496-34-0
Molecular Weight (g/mol)	272.398
MDL Number	MFCD01311420
SMILES	[CH2-]C1=CC(=C(C=C1)F)F.[Zn+2].[Br-]
Synonym	zinc 2+ ion 3,4-difluorophenyl methanide bromide
InChI Key	NXKQWSPHMLPJIC-UHFFFAOYSA-M
Molecular Formula	C7H5BrF2Zn

2-Fluorobenzonitrile, 99%

CAS: 394-47-8 Molecular Formula: C7H4FN Molecular Weight (g/mol): 121.11 MDL Number: MFCD00001773 InChI Key: GDHXJNRAJRCGMX-UHFFFAOYSA-N Synonym: o-fluorobenzonitrile,benzonitrile, 2-fluoro,o-cyanofluorobenzene,2-fluorobenzonitril,2-cyanofluorobenzene,benzonitrile, o-fluoro,fluorobenzonitrile,2-fluorobenzenecarbonitrile,2-fluoro-benzonitrile,1-cyano-2-fluorobenzene PubChem CID: 67855 IUPAC Name: 2-fluorobenzonitrile SMILES: FC1=CC=CC=C1C#N

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PubChem CID	67855
CAS	394-47-8
Molecular Weight (g/mol)	121.11
MDL Number	MFCD00001773
SMILES	FC1=CC=CC=C1C#N
Synonym	o-fluorobenzonitrile,benzonitrile, 2-fluoro,o-cyanofluorobenzene,2-fluorobenzonitril,2-cyanofluorobenzene,benzonitrile, o-fluoro,fluorobenzonitrile,2-fluorobenzenecarbonitrile,2-fluoro-benzonitrile,1-cyano-2-fluorobenzene
IUPAC Name	2-fluorobenzonitrile
InChI Key	GDHXJNRAJRCGMX-UHFFFAOYSA-N
Molecular Formula	C7H4FN

3-Fluorophenylboronic acid, 97%

CAS: 768-35-4 Molecular Formula: C6H6BFO2 Molecular Weight (g/mol): 139.92 MDL Number: MFCD00236042 InChI Key: KNXQDJCZSVHEIW-UHFFFAOYSA-N Synonym: 3-fluorophenyl boronic acid,3-fluorobenzeneboronic acid,m-fluorophenylboronic acid,3-fluoro phenylboric acid,3-fluorophenyl boranediol,3-fluorophenylbornic acid,fpba,boronic acid, b-3-fluorophenyl,3-fluoro-phenyl-boronic acid PubChem CID: 2733986 IUPAC Name: (3-fluorophenyl)boronic acid SMILES: OB(O)C1=CC=CC(F)=C1

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PubChem CID	2733986
CAS	768-35-4
Molecular Weight (g/mol)	139.92
MDL Number	MFCD00236042
SMILES	OB(O)C1=CC=CC(F)=C1
Synonym	3-fluorophenyl boronic acid,3-fluorobenzeneboronic acid,m-fluorophenylboronic acid,3-fluoro phenylboric acid,3-fluorophenyl boranediol,3-fluorophenylbornic acid,fpba,boronic acid, b-3-fluorophenyl,3-fluoro-phenyl-boronic acid
IUPAC Name	(3-fluorophenyl)boronic acid
InChI Key	KNXQDJCZSVHEIW-UHFFFAOYSA-N
Molecular Formula	C6H6BFO2

1-Bromo-4-fluorobenzene, 99%

CAS: 460-00-4 Molecular Formula: C6H4BrF Molecular Weight (g/mol): 175.00 MDL Number: MFCD00000342 InChI Key: AITNMTXHTIIIBB-UHFFFAOYSA-N Synonym: 4-bromofluorobenzene,p-bromofluorobenzene,p-fluorobromobenzene,4-fluorobromobenzene,benzene, 1-bromo-4-fluoro,4-fluorophenyl bromide,1-fluoro-4-bromobenzene,4-fluoro-1-bromobenzene,p-fluorophenyl bromide,bromo fluorobenzene PubChem CID: 9993 IUPAC Name: 1-bromo-4-fluorobenzene SMILES: FC1=CC=C(Br)C=C1

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Specifications

PubChem CID	9993
CAS	460-00-4
Molecular Weight (g/mol)	175.00
MDL Number	MFCD00000342
SMILES	FC1=CC=C(Br)C=C1
Synonym	4-bromofluorobenzene,p-bromofluorobenzene,p-fluorobromobenzene,4-fluorobromobenzene,benzene, 1-bromo-4-fluoro,4-fluorophenyl bromide,1-fluoro-4-bromobenzene,4-fluoro-1-bromobenzene,p-fluorophenyl bromide,bromo fluorobenzene
IUPAC Name	1-bromo-4-fluorobenzene
InChI Key	AITNMTXHTIIIBB-UHFFFAOYSA-N
Molecular Formula	C6H4BrF

3-Chloro-5-fluorobenzeneboronic acid pinacol ester, 96%, Thermo Scientific™

CAS: 1245524-02-0 Molecular Formula: C12H15BClFO2 Molecular Weight (g/mol): 256.508 InChI Key: ZYWCNKHMEUXNGS-UHFFFAOYSA-N Synonym: 2-3-chloro-5-fluorophenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,3-chloro-5-fluoro-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzene,3-chloro-5-fluorophenylboronic acid pinacol ester,3-chloro-5-fluorobenzeneboronic acid pinacol ester,1,3,2-dioxaborolane, 2-3-chloro-5-fluorophenyl-4,4,5,5-tetramethyl PubChem CID: 53416044 IUPAC Name: 2-(3-chloro-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)Cl)F

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Specifications

PubChem CID	53416044
CAS	1245524-02-0
Molecular Weight (g/mol)	256.508
SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)Cl)F
Synonym	2-3-chloro-5-fluorophenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,3-chloro-5-fluoro-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzene,3-chloro-5-fluorophenylboronic acid pinacol ester,3-chloro-5-fluorobenzeneboronic acid pinacol ester,1,3,2-dioxaborolane, 2-3-chloro-5-fluorophenyl-4,4,5,5-tetramethyl
IUPAC Name	2-(3-chloro-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI Key	ZYWCNKHMEUXNGS-UHFFFAOYSA-N
Molecular Formula	C12H15BClFO2

1-Bromo-3-fluorobenzene, 99%

CAS: 1073-06-9 Molecular Formula: C6H4BrF MDL Number: MFCD00000326 InChI Key: QDFKKJYEIFBEFC-UHFFFAOYSA-N Synonym: 3-bromofluorobenzene,m-bromofluorobenzene,m-fluorobromobenzene,benzene, 1-bromo-3-fluoro,3-bromfluorbenzen,3-fluorobromobenzene,m-fluorophenyl bromide,1-fluoro-3-bromobenzene,3-fluoro bromobenzene,benzene, 1-fluoro-3-bromo PubChem CID: 14082 IUPAC Name: 1-bromo-3-fluorobenzene

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Specifications

PubChem CID	14082
CAS	1073-06-9
MDL Number	MFCD00000326
Synonym	3-bromofluorobenzene,m-bromofluorobenzene,m-fluorobromobenzene,benzene, 1-bromo-3-fluoro,3-bromfluorbenzen,3-fluorobromobenzene,m-fluorophenyl bromide,1-fluoro-3-bromobenzene,3-fluoro bromobenzene,benzene, 1-fluoro-3-bromo
IUPAC Name	1-bromo-3-fluorobenzene
InChI Key	QDFKKJYEIFBEFC-UHFFFAOYSA-N
Molecular Formula	C6H4BrF

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

2-Fluoro-4-(pentafluorothio)aniline, 97%

CAS: 1240257-25-3 Molecular Formula: C6H5F6NS Molecular Weight (g/mol): 237.16 MDL Number: MFCD16652511 InChI Key: VNFMUDAEGKTTOA-UHFFFAOYSA-N Synonym: 2-fluoro-4-pentafluorosulfur aniline,2-fluoro-4-pentafluorothio aniline,2-fluoro-4-pentafluoro-??-sulfanyl aniline,2-fluoro-4-pentafluoro-$l^ 6 PubChem CID: 66523512 IUPAC Name: 2-fluoro-4-(pentafluoro-$l^{6}-sulfanyl)aniline SMILES: NC1=C(F)C=C(C=C1)S(F)(F)(F)(F)F

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Specifications

PubChem CID	66523512
CAS	1240257-25-3
Molecular Weight (g/mol)	237.16
MDL Number	MFCD16652511
SMILES	NC1=C(F)C=C(C=C1)S(F)(F)(F)(F)F
Synonym	2-fluoro-4-pentafluorosulfur aniline,2-fluoro-4-pentafluorothio aniline,2-fluoro-4-pentafluoro-??-sulfanyl aniline,2-fluoro-4-pentafluoro-$l^ 6
IUPAC Name	2-fluoro-4-(pentafluoro-$l^{6}-sulfanyl)aniline
InChI Key	VNFMUDAEGKTTOA-UHFFFAOYSA-N
Molecular Formula	C6H5F6NS

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