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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2-Fluoromesitylene, 98%

CAS: 392-69-8 Molecular Formula: C9H11F Molecular Weight (g/mol): 138.19 MDL Number: MFCD00052365 InChI Key: ZLGPNBBJPOBSLY-UHFFFAOYSA-N Synonym: fluoromesitylene,mesityl fluoride,2-fluoromesitylene,2,4,6-trimethylfluorobenzene,benzene, 2-fluoro-1,3,5-trimethyl,1-fluoro-2,4,6-trimethylbenzene,2-fluoro-1,3,5-trimethyl-benzene,fluormesitylen,mesitylfluoride,pubchem16939 PubChem CID: 136234 IUPAC Name: 2-fluoro-1,3,5-trimethylbenzene SMILES: CC1=CC(C)=C(F)C(C)=C1

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PubChem CID	136234
CAS	392-69-8
Molecular Weight (g/mol)	138.19
MDL Number	MFCD00052365
SMILES	CC1=CC(C)=C(F)C(C)=C1
Synonym	fluoromesitylene,mesityl fluoride,2-fluoromesitylene,2,4,6-trimethylfluorobenzene,benzene, 2-fluoro-1,3,5-trimethyl,1-fluoro-2,4,6-trimethylbenzene,2-fluoro-1,3,5-trimethyl-benzene,fluormesitylen,mesitylfluoride,pubchem16939
IUPAC Name	2-fluoro-1,3,5-trimethylbenzene
InChI Key	ZLGPNBBJPOBSLY-UHFFFAOYSA-N
Molecular Formula	C9H11F

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4-Fluorothiobenzamide, 97%

CAS: 22179-72-2 Molecular Formula: C7H6FNS Molecular Weight (g/mol): 155.19 MDL Number: MFCD01313285 InChI Key: VQFOHZWOKJQOGO-UHFFFAOYSA-N Synonym: 4-fluorothiobenzamide,4-fluorobenzothioamide,4-fluorobenzene-1-carbothioamide,4-fluoro-1-benzenecarbothioamide,4-fluoro-thiobenzamide,benzenecarbothioamide, 4-fluoro,amino 4-fluorophenyl methane-1-thione,p-fluorothiobenzamide,acmc-20amhq,4-fluoro thiobenzamide PubChem CID: 737223 IUPAC Name: 4-fluorobenzenecarbothioamide SMILES: NC(=S)C1=CC=C(F)C=C1

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PubChem CID	737223
CAS	22179-72-2
Molecular Weight (g/mol)	155.19
MDL Number	MFCD01313285
SMILES	NC(=S)C1=CC=C(F)C=C1
Synonym	4-fluorothiobenzamide,4-fluorobenzothioamide,4-fluorobenzene-1-carbothioamide,4-fluoro-1-benzenecarbothioamide,4-fluoro-thiobenzamide,benzenecarbothioamide, 4-fluoro,amino 4-fluorophenyl methane-1-thione,p-fluorothiobenzamide,acmc-20amhq,4-fluoro thiobenzamide
IUPAC Name	4-fluorobenzenecarbothioamide
InChI Key	VQFOHZWOKJQOGO-UHFFFAOYSA-N
Molecular Formula	C7H6FNS

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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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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

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1-(4-Bromo-3-fluorophenyl)cyclopropanecarbonitrile, 96%

CAS: 749269-73-6 Molecular Formula: C10H7BrFN Molecular Weight (g/mol): 240.075 MDL Number: MFCD19692057 InChI Key: KVWJVBSLLYGPIM-UHFFFAOYSA-N Synonym: 1-4-bromo-3-fluorophenyl cyclopropane-1-carbonitrile,1-4-bromo-3-fluorophenyl cyclopropanecarbonitrile,cyclopropanecarbonitrile, 1-4-bromo-3-fluorophenyl,acmc-209owe,4-bromo-3-fluorophenylcyclopropanenitrile PubChem CID: 11715667 IUPAC Name: 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carbonitrile SMILES: C1CC1(C#N)C2=CC(=C(C=C2)Br)F

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PubChem CID	11715667
CAS	749269-73-6
Molecular Weight (g/mol)	240.075
MDL Number	MFCD19692057
SMILES	C1CC1(C#N)C2=CC(=C(C=C2)Br)F
Synonym	1-4-bromo-3-fluorophenyl cyclopropane-1-carbonitrile,1-4-bromo-3-fluorophenyl cyclopropanecarbonitrile,cyclopropanecarbonitrile, 1-4-bromo-3-fluorophenyl,acmc-209owe,4-bromo-3-fluorophenylcyclopropanenitrile
IUPAC Name	1-(4-bromo-3-fluorophenyl)cyclopropane-1-carbonitrile
InChI Key	KVWJVBSLLYGPIM-UHFFFAOYSA-N
Molecular Formula	C10H7BrFN

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2,3,6-Trifluorophenylacetic acid, 98%

CAS: 114152-23-7 Molecular Formula: C₈H₅F₃O₂ Molecular Weight (g/mol): 190.12 MDL Number: MFCD00061217 InChI Key: QRAZASHLGLHKEB-UHFFFAOYSA-N Synonym: 2,3,6-trifluorophenylacetic acid,2-2,3,6-trifluorophenyl acetic acid,2,3,6-trifluorophenyl acetic acid,benzeneacetic acid, 2,3,6-trifluoro,pubchem7293,acmc-1c5f9,rarechem al bo 0509,2,3,6-trifluorophenylaceticacid,2,3,6-trifluorophenylaceitc acid,2,3,6-trifluorobenzeneacetic acid PubChem CID: 2777948 IUPAC Name: 2-(2,3,6-trifluorophenyl)acetic acid SMILES: C1=CC(=C(C(=C1F)CC(=O)O)F)F

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PubChem CID	2777948
CAS	114152-23-7
Molecular Weight (g/mol)	190.12
MDL Number	MFCD00061217
SMILES	C1=CC(=C(C(=C1F)CC(=O)O)F)F
Synonym	2,3,6-trifluorophenylacetic acid,2-2,3,6-trifluorophenyl acetic acid,2,3,6-trifluorophenyl acetic acid,benzeneacetic acid, 2,3,6-trifluoro,pubchem7293,acmc-1c5f9,rarechem al bo 0509,2,3,6-trifluorophenylaceticacid,2,3,6-trifluorophenylaceitc acid,2,3,6-trifluorobenzeneacetic acid
IUPAC Name	2-(2,3,6-trifluorophenyl)acetic acid
InChI Key	QRAZASHLGLHKEB-UHFFFAOYSA-N
Molecular Formula	C₈H₅F₃O₂

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2-Fluoro-5-methylbenzonitrile, 99%

CAS: 64113-84-4 Molecular Formula: C8H6FN Molecular Weight (g/mol): 135.141 MDL Number: MFCD00134542 InChI Key: CMAOLVNGLTWICC-UHFFFAOYSA-N Synonym: 6-fluoro-m-tolunitrile,benzonitrile, 2-fluoro-5-methyl,2-fluoro-5-methyl-benzonitrile,3-cyano-4-fluorotoluene,2-fluoro-5-methylbenzenecarbonitrile,pubchem1552,acmc-209nk8,ksc352m4h,2-fluoro-5 methyl benzonitrile,2-fluoro-5-methyl benzonitrile PubChem CID: 2774584 IUPAC Name: 2-fluoro-5-methylbenzonitrile SMILES: CC1=CC(=C(C=C1)F)C#N

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PubChem CID	2774584
CAS	64113-84-4
Molecular Weight (g/mol)	135.141
MDL Number	MFCD00134542
SMILES	CC1=CC(=C(C=C1)F)C#N
Synonym	6-fluoro-m-tolunitrile,benzonitrile, 2-fluoro-5-methyl,2-fluoro-5-methyl-benzonitrile,3-cyano-4-fluorotoluene,2-fluoro-5-methylbenzenecarbonitrile,pubchem1552,acmc-209nk8,ksc352m4h,2-fluoro-5 methyl benzonitrile,2-fluoro-5-methyl benzonitrile
IUPAC Name	2-fluoro-5-methylbenzonitrile
InChI Key	CMAOLVNGLTWICC-UHFFFAOYSA-N
Molecular Formula	C8H6FN

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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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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

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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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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

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3,4,5-Trifluorobenzeneboronic acid, 97%

CAS: 143418-49-9 Molecular Formula: C6H4BF3O2 Molecular Weight (g/mol): 175.901 MDL Number: MFCD02093069 InChI Key: UHDDEIOYXFXNNJ-UHFFFAOYSA-N Synonym: 3,4,5-trifluorophenyl boronic acid,3,4,5-trifluorobenzeneboronic acid,3,4,5-trifluorophenyl boranediol,boronic acid, b-3,4,5-trifluorophenyl,3,4,5-trifluoro phenylboric acid,boronic acid, 3,4,5-trifluorophenyl,3,4,5-trifluorophenylboronicacid,pubchem2340,acmc-209cqj PubChem CID: 2734671 IUPAC Name: (3,4,5-trifluorophenyl)boronic acid SMILES: B(C1=CC(=C(C(=C1)F)F)F)(O)O

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PubChem CID	2734671
CAS	143418-49-9
Molecular Weight (g/mol)	175.901
MDL Number	MFCD02093069
SMILES	B(C1=CC(=C(C(=C1)F)F)F)(O)O
Synonym	3,4,5-trifluorophenyl boronic acid,3,4,5-trifluorobenzeneboronic acid,3,4,5-trifluorophenyl boranediol,boronic acid, b-3,4,5-trifluorophenyl,3,4,5-trifluoro phenylboric acid,boronic acid, 3,4,5-trifluorophenyl,3,4,5-trifluorophenylboronicacid,pubchem2340,acmc-209cqj
IUPAC Name	(3,4,5-trifluorophenyl)boronic acid
InChI Key	UHDDEIOYXFXNNJ-UHFFFAOYSA-N
Molecular Formula	C6H4BF3O2

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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

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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

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4-Fluoro-1,2-dimethoxybenzene, 98%

CAS: 398-62-9 Molecular Formula: C8H9FO2 Molecular Weight (g/mol): 156.156 MDL Number: MFCD00012201 InChI Key: DAGKHJDZYJFWSO-UHFFFAOYSA-N Synonym: 4-fluoroveratrole,1,2-dimethoxy-4-fluorobenzene,3,4-dimethoxyfluorobenzene,1-fluoro-3,4-dimethoxybenzene,4-fluoro-1,2-dimethoxy-benzene,3,4-dimethoxy-1-fluorobenzene,4-fluoroveratrol,pubchem3048,acmc-1acnf,fluorobenzene, 3,4-methoxy PubChem CID: 593640 IUPAC Name: 4-fluoro-1,2-dimethoxybenzene SMILES: COC1=C(C=C(C=C1)F)OC

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PubChem CID	593640
CAS	398-62-9
Molecular Weight (g/mol)	156.156
MDL Number	MFCD00012201
SMILES	COC1=C(C=C(C=C1)F)OC
Synonym	4-fluoroveratrole,1,2-dimethoxy-4-fluorobenzene,3,4-dimethoxyfluorobenzene,1-fluoro-3,4-dimethoxybenzene,4-fluoro-1,2-dimethoxy-benzene,3,4-dimethoxy-1-fluorobenzene,4-fluoroveratrol,pubchem3048,acmc-1acnf,fluorobenzene, 3,4-methoxy
IUPAC Name	4-fluoro-1,2-dimethoxybenzene
InChI Key	DAGKHJDZYJFWSO-UHFFFAOYSA-N
Molecular Formula	C8H9FO2

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Decafluorobiphenyl, 99%

CAS: 434-90-2 Molecular Formula: C₁₂F₁₀ Molecular Weight (g/mol): 334.12 MDL Number: MFCD00000292 InChI Key: ONUFSRWQCKNVSL-UHFFFAOYSA-N Synonym: decafluorobiphenyl,perfluorobiphenyl,biphenyl, decafluoro,perfluorodiphenyl,1,1'-biphenyl, 2,2',3,3',4,4',5,5',6,6'-decafluoro,1,2,3,4,5-pentafluoro-6-2,3,4,5,6-pentafluorophenyl benzene,decafluoro biphenyl,pubchem9114,acmc-1ctuw PubChem CID: 67949 IUPAC Name: 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F

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PubChem CID	67949
CAS	434-90-2
Molecular Weight (g/mol)	334.12
MDL Number	MFCD00000292
SMILES	C1(=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F
Synonym	decafluorobiphenyl,perfluorobiphenyl,biphenyl, decafluoro,perfluorodiphenyl,1,1'-biphenyl, 2,2',3,3',4,4',5,5',6,6'-decafluoro,1,2,3,4,5-pentafluoro-6-2,3,4,5,6-pentafluorophenyl benzene,decafluoro biphenyl,pubchem9114,acmc-1ctuw
IUPAC Name	1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene
InChI Key	ONUFSRWQCKNVSL-UHFFFAOYSA-N
Molecular Formula	C₁₂F₁₀

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1-Chloro-3-fluorobenzene, 99%

CAS: 625-98-9 Molecular Formula: C6H4ClF Molecular Weight (g/mol): 130.55 MDL Number: MFCD00000569 InChI Key: VZHJIJZEOCBKRA-UHFFFAOYSA-N Synonym: m-chlorofluorobenzene,3-chlorofluorobenzene,benzene, 1-chloro-3-fluoro,m-fluorochlorobenzene,3-fluorochlorobenzene,1-fluoro-3-chlorobenzene,1-chloro-3-fluoro-benzene,m-fluoro chlorobenzene,pubchem3419,3-fluoro-chlorobenzene PubChem CID: 223087 IUPAC Name: 1-chloro-3-fluorobenzene SMILES: FC1=CC=CC(Cl)=C1

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PubChem CID	223087
CAS	625-98-9
Molecular Weight (g/mol)	130.55
MDL Number	MFCD00000569
SMILES	FC1=CC=CC(Cl)=C1
Synonym	m-chlorofluorobenzene,3-chlorofluorobenzene,benzene, 1-chloro-3-fluoro,m-fluorochlorobenzene,3-fluorochlorobenzene,1-fluoro-3-chlorobenzene,1-chloro-3-fluoro-benzene,m-fluoro chlorobenzene,pubchem3419,3-fluoro-chlorobenzene
IUPAC Name	1-chloro-3-fluorobenzene
InChI Key	VZHJIJZEOCBKRA-UHFFFAOYSA-N
Molecular Formula	C6H4ClF

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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

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4-Fluoroaniline, 99%

CAS: 371-40-4 Molecular Formula: C6H6FN Molecular Weight (g/mol): 111.12 MDL Number: MFCD00007829 InChI Key: KRZCOLNOCZKSDF-UHFFFAOYSA-N Synonym: p-fluoroaniline,benzenamine, 4-fluoro,1-amino-4-fluorobenzene,4-fluorobenzenamine,p-fluorophenylamine,4-fluoronaniline,aniline, p-fluoro,aniline, 4-fluoro,4-fluoranilin,para-fluoroaniline PubChem CID: 9731 ChEBI: CHEBI:28546 IUPAC Name: 4-fluoroaniline SMILES: NC1=CC=C(F)C=C1

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Specifications

PubChem CID	9731
CAS	371-40-4
Molecular Weight (g/mol)	111.12
ChEBI	CHEBI:28546
MDL Number	MFCD00007829
SMILES	NC1=CC=C(F)C=C1
Synonym	p-fluoroaniline,benzenamine, 4-fluoro,1-amino-4-fluorobenzene,4-fluorobenzenamine,p-fluorophenylamine,4-fluoronaniline,aniline, p-fluoro,aniline, 4-fluoro,4-fluoranilin,para-fluoroaniline
IUPAC Name	4-fluoroaniline
InChI Key	KRZCOLNOCZKSDF-UHFFFAOYSA-N
Molecular Formula	C6H6FN

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