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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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1

2-Bromo-3-fluorotoluene, 98%, Thermo Scientific Chemicals

CAS: 59907-13-0 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.027 MDL Number: MFCD08458010 InChI Key: FYCXRRYRNRDSRM-UHFFFAOYSA-N Synonym: 2-bromo-3-fluorotoluene,3-fluoro-2-bromo toluene,benzene, 2-bromo-1-fluoro-3-methyl,2-brom-1-fluor-3-methylbenzol,pubchem4518,acmc-1awko,ksc493o4f,2-bromo-1-fluoro-3-methyl-benzene PubChem CID: 108856 IUPAC Name: 2-bromo-1-fluoro-3-methylbenzene SMILES: CC1=C(C(=CC=C1)F)Br

PubChem CID 108856
CAS 59907-13-0
Molecular Weight (g/mol) 189.027
MDL Number MFCD08458010
SMILES CC1=C(C(=CC=C1)F)Br
Synonym 2-bromo-3-fluorotoluene,3-fluoro-2-bromo toluene,benzene, 2-bromo-1-fluoro-3-methyl,2-brom-1-fluor-3-methylbenzol,pubchem4518,acmc-1awko,ksc493o4f,2-bromo-1-fluoro-3-methyl-benzene
IUPAC Name 2-bromo-1-fluoro-3-methylbenzene
InChI Key FYCXRRYRNRDSRM-UHFFFAOYSA-N
Molecular Formula C7H6BrF
2

2-Bromo-1,4-difluorobenzene, 98%

CAS: 399-94-0 Molecular Formula: C6H3BrF2 Molecular Weight (g/mol): 192.991 MDL Number: MFCD00000345 InChI Key: XCRCSPKQEDMVBO-UHFFFAOYSA-N Synonym: 1-bromo-2,5-difluorobenzene,2,5-difluorobromobenzene,benzene, 2-bromo-1,4-difluoro,1,4-difluoro-2-bromobenzene,2-bromo-1,4-difluoro-benzene,fr df be,pubchem2302,acmc-1ad5i,1-bromo-2,5 difluorobenzene,2,5-difluoro-1-bromobenzene PubChem CID: 67862 IUPAC Name: 2-bromo-1,4-difluorobenzene SMILES: C1=CC(=C(C=C1F)Br)F

PubChem CID 67862
CAS 399-94-0
Molecular Weight (g/mol) 192.991
MDL Number MFCD00000345
SMILES C1=CC(=C(C=C1F)Br)F
Synonym 1-bromo-2,5-difluorobenzene,2,5-difluorobromobenzene,benzene, 2-bromo-1,4-difluoro,1,4-difluoro-2-bromobenzene,2-bromo-1,4-difluoro-benzene,fr df be,pubchem2302,acmc-1ad5i,1-bromo-2,5 difluorobenzene,2,5-difluoro-1-bromobenzene
IUPAC Name 2-bromo-1,4-difluorobenzene
InChI Key XCRCSPKQEDMVBO-UHFFFAOYSA-N
Molecular Formula C6H3BrF2
3

3,4-Difluorotoluene, 98%

CAS: 2927-34-6 Molecular Formula: C7H6F2 Molecular Weight (g/mol): 128.12 MDL Number: MFCD00075087 InChI Key: FZMPLKVGINKUJZ-UHFFFAOYSA-N PubChem CID: 2733400 IUPAC Name: 1,2-difluoro-4-methylbenzene SMILES: CC1=CC=C(F)C(F)=C1

PubChem CID 2733400
CAS 2927-34-6
Molecular Weight (g/mol) 128.12
MDL Number MFCD00075087
SMILES CC1=CC=C(F)C(F)=C1
IUPAC Name 1,2-difluoro-4-methylbenzene
InChI Key FZMPLKVGINKUJZ-UHFFFAOYSA-N
Molecular Formula C7H6F2
4

Chloropentafluorobenzene, 98+%

CAS: 344-07-0 Molecular Formula: C6ClF5 Molecular Weight (g/mol): 202.51 MDL Number: MFCD00000534 InChI Key: KGCDGLXSBHJAHZ-UHFFFAOYSA-N Synonym: chloropentafluorobenzene,pentafluorochlorobenzene,benzene, chloropentafluoro,pentafluorophenyl chloride,chloroperfluorobenzene,ccris 2394,pentafluorochloro benzene,1-chloro-2,3,4,5,6-pentafluoro-benzene,benzene, 1-chloro-2,3,4,5,6-pentafluoro,pentafluorophenylchloride PubChem CID: 9579 IUPAC Name: 1-chloro-2,3,4,5,6-pentafluorobenzene SMILES: FC1=C(F)C(F)=C(Cl)C(F)=C1F

PubChem CID 9579
CAS 344-07-0
Molecular Weight (g/mol) 202.51
MDL Number MFCD00000534
SMILES FC1=C(F)C(F)=C(Cl)C(F)=C1F
Synonym chloropentafluorobenzene,pentafluorochlorobenzene,benzene, chloropentafluoro,pentafluorophenyl chloride,chloroperfluorobenzene,ccris 2394,pentafluorochloro benzene,1-chloro-2,3,4,5,6-pentafluoro-benzene,benzene, 1-chloro-2,3,4,5,6-pentafluoro,pentafluorophenylchloride
IUPAC Name 1-chloro-2,3,4,5,6-pentafluorobenzene
InChI Key KGCDGLXSBHJAHZ-UHFFFAOYSA-N
Molecular Formula C6ClF5
5

Dimethyl (4-fluorobenzyl)malonate, 97%

CAS: 252938-22-0 Molecular Formula: C12H13FO4 Molecular Weight (g/mol): 240.23 MDL Number: MFCD01934558 InChI Key: WDFUURBBGZTSIA-UHFFFAOYSA-N Synonym: dimethyl 4-fluorobenzyl malonate,dimethyl 2-4-fluorobenzyl malonate,1,3-dimethyl 2-4-fluorophenyl methyl propanedioate,acmc-1cpd2,dimethyl 4-fluorobenzylmalonate,2-4-fluorobenzyl-malonic acid dimethyl ester,dimethyl 2-4-fluorophenyl methyl propanedioate,dimethyl 2-4-fluorophenyl methyl propane-1,3-dioate PubChem CID: 2781576 SMILES: COC(=O)C(CC1=CC=C(F)C=C1)C(=O)OC

PubChem CID 2781576
CAS 252938-22-0
Molecular Weight (g/mol) 240.23
MDL Number MFCD01934558
SMILES COC(=O)C(CC1=CC=C(F)C=C1)C(=O)OC
Synonym dimethyl 4-fluorobenzyl malonate,dimethyl 2-4-fluorobenzyl malonate,1,3-dimethyl 2-4-fluorophenyl methyl propanedioate,acmc-1cpd2,dimethyl 4-fluorobenzylmalonate,2-4-fluorobenzyl-malonic acid dimethyl ester,dimethyl 2-4-fluorophenyl methyl propanedioate,dimethyl 2-4-fluorophenyl methyl propane-1,3-dioate
InChI Key WDFUURBBGZTSIA-UHFFFAOYSA-N
Molecular Formula C12H13FO4
6

3-Fluoroaniline, 98+%

CAS: 372-19-0 Molecular Formula: C6H6FN Molecular Weight (g/mol): 111.119 MDL Number: MFCD00007758 InChI Key: QZVQQUVWFIZUBQ-UHFFFAOYSA-N Synonym: m-fluoroaniline,1-amino-3-fluorobenzene,3-fluoranilin,benzenamine, 3-fluoro,3-fluorobenzenamine,3-fluoro-phenylamine,aniline, 3-fluoro,3-fluorophenylamine,aniline, m-fluoro,3-fluoranilin czech PubChem CID: 9742 ChEBI: CHEBI:27873 IUPAC Name: 3-fluoroaniline SMILES: C1=CC(=CC(=C1)F)N

PubChem CID 9742
CAS 372-19-0
Molecular Weight (g/mol) 111.119
ChEBI CHEBI:27873
MDL Number MFCD00007758
SMILES C1=CC(=CC(=C1)F)N
Synonym m-fluoroaniline,1-amino-3-fluorobenzene,3-fluoranilin,benzenamine, 3-fluoro,3-fluorobenzenamine,3-fluoro-phenylamine,aniline, 3-fluoro,3-fluorophenylamine,aniline, m-fluoro,3-fluoranilin czech
IUPAC Name 3-fluoroaniline
InChI Key QZVQQUVWFIZUBQ-UHFFFAOYSA-N
Molecular Formula C6H6FN
7

Potassium tetrakis(pentafluorophenyl)borate, 97%

CAS: 89171-23-3 Molecular Formula: C24BF20K Molecular Weight (g/mol): 718.14 MDL Number: MFCD06797410 InChI Key: GYBHRIJOPWTIKA-UHFFFAOYSA-N Synonym: potassium tetrakis pentafluorophenyl borate,potassium tetrakis pentafluorophe-nyl borate,tetrakis-pentafluorophenyl-potassium borate,potassium tetrakis 2,3,4,5,6-pentafluorophenyl boranuide PubChem CID: 23693577 IUPAC Name: potassium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide SMILES: [B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.[K+]

PubChem CID 23693577
CAS 89171-23-3
Molecular Weight (g/mol) 718.14
MDL Number MFCD06797410
SMILES [B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.[K+]
Synonym potassium tetrakis pentafluorophenyl borate,potassium tetrakis pentafluorophe-nyl borate,tetrakis-pentafluorophenyl-potassium borate,potassium tetrakis 2,3,4,5,6-pentafluorophenyl boranuide
IUPAC Name potassium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
InChI Key GYBHRIJOPWTIKA-UHFFFAOYSA-N
Molecular Formula C24BF20K
8

2,5-Difluorobenzeneboronic acid, 96%

CAS: 193353-34-3 Molecular Formula: C6H5BF2O2 Molecular Weight (g/mol): 157.911 MDL Number: MFCD01863171 InChI Key: KTOJGSDLJNUAEP-UHFFFAOYSA-N Synonym: 2,5-difluorophenyl boronic acid,2,5-difluorobenzeneboronic acid,2,5-difluorophenyl boranediol,boronic acid, 2,5-difluorophenyl,2,5-difluorophenylboronicacid,2,5-fluorobenzene boronic acid,pubchem1820,acmc-1c1am,ksc174i6r,2,5-difluoro phenylboronic acid PubChem CID: 2734335 IUPAC Name: (2,5-difluorophenyl)boronic acid SMILES: B(C1=C(C=CC(=C1)F)F)(O)O

PubChem CID 2734335
CAS 193353-34-3
Molecular Weight (g/mol) 157.911
MDL Number MFCD01863171
SMILES B(C1=C(C=CC(=C1)F)F)(O)O
Synonym 2,5-difluorophenyl boronic acid,2,5-difluorobenzeneboronic acid,2,5-difluorophenyl boranediol,boronic acid, 2,5-difluorophenyl,2,5-difluorophenylboronicacid,2,5-fluorobenzene boronic acid,pubchem1820,acmc-1c1am,ksc174i6r,2,5-difluoro phenylboronic acid
IUPAC Name (2,5-difluorophenyl)boronic acid
InChI Key KTOJGSDLJNUAEP-UHFFFAOYSA-N
Molecular Formula C6H5BF2O2
9

2,6-Difluorotoluene, 98%

CAS: 443-84-5 Molecular Formula: C7H6F2 Molecular Weight (g/mol): 128.122 MDL Number: MFCD00043898 InChI Key: MZLSNIREOQCDED-UHFFFAOYSA-N Synonym: 2,6-difluorotoluene,benzene, 1,3-difluoro-2-methyl,2.6-difluoro methyl benzene,1,3-difluoro-2-methyl-benzene,1,3-difluor-2-methylbenzol,pubchem1614,2,6-difluoro toluene,acmc-209jxo,ksc493c9b PubChem CID: 581493 IUPAC Name: 1,3-difluoro-2-methylbenzene SMILES: CC1=C(C=CC=C1F)F

PubChem CID 581493
CAS 443-84-5
Molecular Weight (g/mol) 128.122
MDL Number MFCD00043898
SMILES CC1=C(C=CC=C1F)F
Synonym 2,6-difluorotoluene,benzene, 1,3-difluoro-2-methyl,2.6-difluoro methyl benzene,1,3-difluoro-2-methyl-benzene,1,3-difluor-2-methylbenzol,pubchem1614,2,6-difluoro toluene,acmc-209jxo,ksc493c9b
IUPAC Name 1,3-difluoro-2-methylbenzene
InChI Key MZLSNIREOQCDED-UHFFFAOYSA-N
Molecular Formula C7H6F2
10

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

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
11

2,4,5-Trifluorophenylacetic acid, 94%

CAS: 209995-38-0 Molecular Formula: C8H5F3O2 Molecular Weight (g/mol): 190.12 MDL Number: MFCD00082479 InChI Key: YSQLGGQUQDTBSL-UHFFFAOYSA-N Synonym: 2,4,5-trifluorophenylacetic acid,2-2,4,5-trifluorophenyl acetic acid,2,4,5-trifluorophenyl acetic acid,2,4,5-trifluoro-phenyl-acetic acid,2,4,5-trifluorophenylaceticacid,2,4,5-trifluoro phenyl acetic acid,benzeneacetic acid, 2,4,5-trifluoro,pubchem3526,pubchem7287 PubChem CID: 2777950 IUPAC Name: 2-(2,4,5-trifluorophenyl)acetic acid SMILES: OC(=O)CC1=CC(F)=C(F)C=C1F

PubChem CID 2777950
CAS 209995-38-0
Molecular Weight (g/mol) 190.12
MDL Number MFCD00082479
SMILES OC(=O)CC1=CC(F)=C(F)C=C1F
Synonym 2,4,5-trifluorophenylacetic acid,2-2,4,5-trifluorophenyl acetic acid,2,4,5-trifluorophenyl acetic acid,2,4,5-trifluoro-phenyl-acetic acid,2,4,5-trifluorophenylaceticacid,2,4,5-trifluoro phenyl acetic acid,benzeneacetic acid, 2,4,5-trifluoro,pubchem3526,pubchem7287
IUPAC Name 2-(2,4,5-trifluorophenyl)acetic acid
InChI Key YSQLGGQUQDTBSL-UHFFFAOYSA-N
Molecular Formula C8H5F3O2
12

3-Fluoroaniline, 98%

CAS: 372-19-0 Molecular Formula: C6H6FN Molecular Weight (g/mol): 111.12 MDL Number: MFCD00007758 InChI Key: QZVQQUVWFIZUBQ-UHFFFAOYSA-N Synonym: m-fluoroaniline,1-amino-3-fluorobenzene,3-fluoranilin,benzenamine, 3-fluoro,3-fluorobenzenamine,3-fluoro-phenylamine,aniline, 3-fluoro,3-fluorophenylamine,aniline, m-fluoro,3-fluoranilin czech PubChem CID: 9742 ChEBI: CHEBI:27873 IUPAC Name: 3-fluoroaniline SMILES: C1=CC(=CC(=C1)F)N

PubChem CID 9742
CAS 372-19-0
Molecular Weight (g/mol) 111.12
ChEBI CHEBI:27873
MDL Number MFCD00007758
SMILES C1=CC(=CC(=C1)F)N
Synonym m-fluoroaniline,1-amino-3-fluorobenzene,3-fluoranilin,benzenamine, 3-fluoro,3-fluorobenzenamine,3-fluoro-phenylamine,aniline, 3-fluoro,3-fluorophenylamine,aniline, m-fluoro,3-fluoranilin czech
IUPAC Name 3-fluoroaniline
InChI Key QZVQQUVWFIZUBQ-UHFFFAOYSA-N
Molecular Formula C6H6FN
13

2,4-Difluorobenzeneboronic acid, 97%

CAS: 144025-03-6 Molecular Formula: C6H5BF2O2 Molecular Weight (g/mol): 157.91 MDL Number: MFCD01318998 InChI Key: QQLRSCZSKQTFGY-UHFFFAOYSA-N Synonym: 2,4-difluorobenzeneboronic acid,2,4-difluorophenyl boronic acid,2,4-fluorobenzene boronic acid,2,4-difluorophenyl boranediol,2,4-difluorophenyl-boronic acid,2,4-difluorophenylboronicacid,2 4-difluorophenylboronic acid,boronic acid, 2,4-difluorophenyl,boronic acid, b-2,4-difluorophenyl PubChem CID: 2734334 IUPAC Name: (2,4-difluorophenyl)boronic acid SMILES: OB(O)C1=CC=C(F)C=C1F

PubChem CID 2734334
CAS 144025-03-6
Molecular Weight (g/mol) 157.91
MDL Number MFCD01318998
SMILES OB(O)C1=CC=C(F)C=C1F
Synonym 2,4-difluorobenzeneboronic acid,2,4-difluorophenyl boronic acid,2,4-fluorobenzene boronic acid,2,4-difluorophenyl boranediol,2,4-difluorophenyl-boronic acid,2,4-difluorophenylboronicacid,2 4-difluorophenylboronic acid,boronic acid, 2,4-difluorophenyl,boronic acid, b-2,4-difluorophenyl
IUPAC Name (2,4-difluorophenyl)boronic acid
InChI Key QQLRSCZSKQTFGY-UHFFFAOYSA-N
Molecular Formula C6H5BF2O2
14

3,4-Difluorobenzeneboronic acid, 97%

CAS: 168267-41-2 Molecular Formula: C6H5BF2O2 Molecular Weight (g/mol): 157.91 MDL Number: MFCD00807405 InChI Key: RMGYQBHKEWWTOY-UHFFFAOYSA-N Synonym: 3,4-difluorophenyl boronic acid,3,4-difluorobenzeneboronic acid,3,4-difluorophenyl boranediol,3,4-fluorobenzene boronic acid,3,4-difluorophenylbornic acid,3,4-difluoro phenylboric acid,3,4-difluorobenzenebornoic acid,3,4-difluoro phenylboronic acid,boronic acid, 3,4-difluorophenyl PubChem CID: 2734337 IUPAC Name: (3,4-difluorophenyl)boronic acid SMILES: OB(O)C1=CC=C(F)C(F)=C1

PubChem CID 2734337
CAS 168267-41-2
Molecular Weight (g/mol) 157.91
MDL Number MFCD00807405
SMILES OB(O)C1=CC=C(F)C(F)=C1
Synonym 3,4-difluorophenyl boronic acid,3,4-difluorobenzeneboronic acid,3,4-difluorophenyl boranediol,3,4-fluorobenzene boronic acid,3,4-difluorophenylbornic acid,3,4-difluoro phenylboric acid,3,4-difluorobenzenebornoic acid,3,4-difluoro phenylboronic acid,boronic acid, 3,4-difluorophenyl
IUPAC Name (3,4-difluorophenyl)boronic acid
InChI Key RMGYQBHKEWWTOY-UHFFFAOYSA-N
Molecular Formula C6H5BF2O2
15

2,3,4,5,6-Pentafluorophenylacetic acid, 98+%

CAS: 653-21-4 Molecular Formula: C8H3F5O2 Molecular Weight (g/mol): 226.102 MDL Number: MFCD00004316 InChI Key: LGCODSNZJOVMHV-UHFFFAOYSA-N Synonym: pentafluorophenylacetic acid,2,3,4,5,6-pentafluorophenylacetic acid,pentafluorophenyl acetic acid,2-perfluorophenyl acetic acid,2-2,3,4,5,6-pentafluorophenyl acetic acid,2,3,4,5,6-pentafluorphenylacetic acid,benzeneacetic acid, 2,3,4,5,6-pentafluoro,acmc-20aoj2,pentafluorophenylaceticacid,2-pentafluorophenyl acetic acid PubChem CID: 69553 IUPAC Name: 2-(2,3,4,5,6-pentafluorophenyl)acetic acid SMILES: C(C1=C(C(=C(C(=C1F)F)F)F)F)C(=O)O

PubChem CID 69553
CAS 653-21-4
Molecular Weight (g/mol) 226.102
MDL Number MFCD00004316
SMILES C(C1=C(C(=C(C(=C1F)F)F)F)F)C(=O)O
Synonym pentafluorophenylacetic acid,2,3,4,5,6-pentafluorophenylacetic acid,pentafluorophenyl acetic acid,2-perfluorophenyl acetic acid,2-2,3,4,5,6-pentafluorophenyl acetic acid,2,3,4,5,6-pentafluorphenylacetic acid,benzeneacetic acid, 2,3,4,5,6-pentafluoro,acmc-20aoj2,pentafluorophenylaceticacid,2-pentafluorophenyl acetic acid
IUPAC Name 2-(2,3,4,5,6-pentafluorophenyl)acetic acid
InChI Key LGCODSNZJOVMHV-UHFFFAOYSA-N
Molecular Formula C8H3F5O2