Benzene and substituted derivatives
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1,2-Dibromo-4,5-difluorobenzene, 98%
CAS: 64695-78-9 Molecular Formula: C6H2Br2F2 Molecular Weight (g/mol): 271.887 MDL Number: MFCD00009890 InChI Key: JTEZQWOKRHOKDG-UHFFFAOYSA-N Synonym: benzene, 1,2-dibromo-4,5-difluoro,1,2-dibromo-4,5-difluoro-benzene,1,2-difluoro-4,5-dibromobenzene,zlchem 536,pubchem3440,acmc-1biw8,1,2-dibromo-4,5-difluorobenzene,benzene, 1,2-dibromo-4,5-difluoro-;1,2-dibromo-4,5-difl PubChem CID: 94949 IUPAC Name: 1,2-dibromo-4,5-difluorobenzene SMILES: C1=C(C(=CC(=C1Br)Br)F)F
| PubChem CID | 94949 |
|---|---|
| CAS | 64695-78-9 |
| Molecular Weight (g/mol) | 271.887 |
| MDL Number | MFCD00009890 |
| SMILES | C1=C(C(=CC(=C1Br)Br)F)F |
| Synonym | benzene, 1,2-dibromo-4,5-difluoro,1,2-dibromo-4,5-difluoro-benzene,1,2-difluoro-4,5-dibromobenzene,zlchem 536,pubchem3440,acmc-1biw8,1,2-dibromo-4,5-difluorobenzene,benzene, 1,2-dibromo-4,5-difluoro-;1,2-dibromo-4,5-difl |
| IUPAC Name | 1,2-dibromo-4,5-difluorobenzene |
| InChI Key | JTEZQWOKRHOKDG-UHFFFAOYSA-N |
| Molecular Formula | C6H2Br2F2 |
3,4-Dichloro-6-fluoroaniline, 96%
CAS: 2729-36-4 Molecular Formula: C6H4Cl2FN Molecular Weight (g/mol): 180.003 MDL Number: MFCD19707630 InChI Key: FHJVHVKVTUTGTA-UHFFFAOYSA-N Synonym: 3,4-dichloro-6-fluoroaniline,4,5-dichloro-2-fluorobenzenamine,4,5-dichloro-2-fluorophenylamine,4,5-dichloro-2-fluoro-phenylamine,4,5-dichloro-2-fluorophenyl amine,benzenamine, 4,5-dichloro-2-fluoro PubChem CID: 223091 IUPAC Name: 4,5-dichloro-2-fluoroaniline SMILES: C1=C(C(=CC(=C1Cl)Cl)F)N
| PubChem CID | 223091 |
|---|---|
| CAS | 2729-36-4 |
| Molecular Weight (g/mol) | 180.003 |
| MDL Number | MFCD19707630 |
| SMILES | C1=C(C(=CC(=C1Cl)Cl)F)N |
| Synonym | 3,4-dichloro-6-fluoroaniline,4,5-dichloro-2-fluorobenzenamine,4,5-dichloro-2-fluorophenylamine,4,5-dichloro-2-fluoro-phenylamine,4,5-dichloro-2-fluorophenyl amine,benzenamine, 4,5-dichloro-2-fluoro |
| IUPAC Name | 4,5-dichloro-2-fluoroaniline |
| InChI Key | FHJVHVKVTUTGTA-UHFFFAOYSA-N |
| Molecular Formula | C6H4Cl2FN |
2-Bromo-4-fluorotoluene, 98+%
CAS: 1422-53-3 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.027 MDL Number: MFCD00040828 InChI Key: SFGFOJPGCOYQJK-UHFFFAOYSA-N Synonym: 2-bromo-4-fluorotoluene,4-fluoro-2-bromotoluene,2-bromo-4-fluoro toluene,benzene, 2-bromo-4-fluoro-1-methyl,2-bromo-4-fluoro-1-methyl-benzene,2-brom-4-fluor-1-methylbenzol,pubchem1602,2-bromo4-fluorotoluene,acmc-209cny,2-bromo-4-fluoro-toluene PubChem CID: 74016 IUPAC Name: 2-bromo-4-fluoro-1-methylbenzene SMILES: CC1=C(C=C(C=C1)F)Br
| PubChem CID | 74016 |
|---|---|
| CAS | 1422-53-3 |
| Molecular Weight (g/mol) | 189.027 |
| MDL Number | MFCD00040828 |
| SMILES | CC1=C(C=C(C=C1)F)Br |
| Synonym | 2-bromo-4-fluorotoluene,4-fluoro-2-bromotoluene,2-bromo-4-fluoro toluene,benzene, 2-bromo-4-fluoro-1-methyl,2-bromo-4-fluoro-1-methyl-benzene,2-brom-4-fluor-1-methylbenzol,pubchem1602,2-bromo4-fluorotoluene,acmc-209cny,2-bromo-4-fluoro-toluene |
| IUPAC Name | 2-bromo-4-fluoro-1-methylbenzene |
| InChI Key | SFGFOJPGCOYQJK-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrF |
5-Bromo-2,4-difluorotoluene, 98%
CAS: 159277-47-1 Molecular Formula: C7H5BrF2 Molecular Weight (g/mol): 207.018 MDL Number: MFCD15144620 InChI Key: WOCZKGUFVNUBEC-UHFFFAOYSA-N Synonym: 5-bromo-2,4-difluorotoluene,benzene, 1-bromo-2,4-difluoro-5-methyl,1-methyl-2,4-difluoro-5-bromobenzene,2,4-difluoro-5-bromo toluene PubChem CID: 10081748 IUPAC Name: 1-bromo-2,4-difluoro-5-methylbenzene SMILES: CC1=CC(=C(C=C1F)F)Br
| PubChem CID | 10081748 |
|---|---|
| CAS | 159277-47-1 |
| Molecular Weight (g/mol) | 207.018 |
| MDL Number | MFCD15144620 |
| SMILES | CC1=CC(=C(C=C1F)F)Br |
| Synonym | 5-bromo-2,4-difluorotoluene,benzene, 1-bromo-2,4-difluoro-5-methyl,1-methyl-2,4-difluoro-5-bromobenzene,2,4-difluoro-5-bromo toluene |
| IUPAC Name | 1-bromo-2,4-difluoro-5-methylbenzene |
| InChI Key | WOCZKGUFVNUBEC-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrF2 |
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
| 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 |
Pentafluorophenyl isothiocyanate, 96%
CAS: 35923-79-6 Molecular Formula: C7F5NS Molecular Weight (g/mol): 225.136 MDL Number: MFCD00041042 InChI Key: NGNKMRBGZPDABE-UHFFFAOYSA-N Synonym: pentafluorophenyl isothiocyanate,perfluorophenyl isothiocyanate,pentafluorophenylisothiocyanate,benzene, pentafluoroisothiocyanato,2,3,4,5,6-pentafluorophenylisothiocyanate,2,3,4,5,6-pentafluorophenyl isothiocyanate,acmc-20ajyt,pubchem5009,pentafluorophenyl isothiocyanate 1g,2,3,4,5,6-pentafluorobenzenisothiocyanate PubChem CID: 123452 IUPAC Name: 1,2,3,4,5-pentafluoro-6-isothiocyanatobenzene SMILES: C(=NC1=C(C(=C(C(=C1F)F)F)F)F)=S
| PubChem CID | 123452 |
|---|---|
| CAS | 35923-79-6 |
| Molecular Weight (g/mol) | 225.136 |
| MDL Number | MFCD00041042 |
| SMILES | C(=NC1=C(C(=C(C(=C1F)F)F)F)F)=S |
| Synonym | pentafluorophenyl isothiocyanate,perfluorophenyl isothiocyanate,pentafluorophenylisothiocyanate,benzene, pentafluoroisothiocyanato,2,3,4,5,6-pentafluorophenylisothiocyanate,2,3,4,5,6-pentafluorophenyl isothiocyanate,acmc-20ajyt,pubchem5009,pentafluorophenyl isothiocyanate 1g,2,3,4,5,6-pentafluorobenzenisothiocyanate |
| IUPAC Name | 1,2,3,4,5-pentafluoro-6-isothiocyanatobenzene |
| InChI Key | NGNKMRBGZPDABE-UHFFFAOYSA-N |
| Molecular Formula | C7F5NS |
3-Fluorophenyl isothiocyanate, 97+%
CAS: 404-72-8 Molecular Formula: C7H4FNS Molecular Weight (g/mol): 153.17 MDL Number: MFCD00004804 InChI Key: HDBACITVPQEAGG-UHFFFAOYSA-N Synonym: 3-fluorophenyl isothiocyanate,benzene, 1-fluoro-3-isothiocyanato,m-fluorophenyl isothiocyanate,3-fluorophenylisothiocyanate,isothiocyanic acid 3-fluorophenyl ester,isothiocyanic acid, m-fluorophenyl ester,1-fluoro-3-isothiocyanato-benzene,3-fluorobenzenisothiocyanate,timtec-bb sbb006700,attercop-chm at114051 PubChem CID: 9834 IUPAC Name: 1-fluoro-3-isothiocyanatobenzene SMILES: FC1=CC=CC(=C1)N=C=S
| PubChem CID | 9834 |
|---|---|
| CAS | 404-72-8 |
| Molecular Weight (g/mol) | 153.17 |
| MDL Number | MFCD00004804 |
| SMILES | FC1=CC=CC(=C1)N=C=S |
| Synonym | 3-fluorophenyl isothiocyanate,benzene, 1-fluoro-3-isothiocyanato,m-fluorophenyl isothiocyanate,3-fluorophenylisothiocyanate,isothiocyanic acid 3-fluorophenyl ester,isothiocyanic acid, m-fluorophenyl ester,1-fluoro-3-isothiocyanato-benzene,3-fluorobenzenisothiocyanate,timtec-bb sbb006700,attercop-chm at114051 |
| IUPAC Name | 1-fluoro-3-isothiocyanatobenzene |
| InChI Key | HDBACITVPQEAGG-UHFFFAOYSA-N |
| Molecular Formula | C7H4FNS |
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 |
4-Fluoro-3-methylphenylmagnesium bromide, 0.5M solution in THF, AcroSeal™, Thermo Scientific™
CAS: 82297-89-0 Molecular Formula: C7H6BrFMg Molecular Weight (g/mol): 213.33 MDL Number: MFCD00075303 InChI Key: OLSGDQISPRACFY-UHFFFAOYSA-M Synonym: 4-fluoro-3-methylphenylmagnesium bromide,olsgdqispracfy-uhfffaoysa-m,bromo 4-fluoro-3-methylphenyl magnesium,3-methyl-4-fluorophenyl magnesium bromide,4-fluoro-3-methylphenyl magnesium bromide,4-fluoro-3-methylphenylmagnesium bromide, 0.50 m in 2-methf,4-fluoro-3-methylphenylmagnesium bromide 0.5 m in tetrahydrofuran,4-fluoro-3-methylphenylmagnesium bromide solution, 1.0 m in thf,grignard reagent PubChem CID: 2778169 IUPAC Name: magnesium;1-fluoro-2-methylbenzene-4-ide;bromide SMILES: CC1=CC([Mg]Br)=CC=C1F
| PubChem CID | 2778169 |
|---|---|
| CAS | 82297-89-0 |
| Molecular Weight (g/mol) | 213.33 |
| MDL Number | MFCD00075303 |
| SMILES | CC1=CC([Mg]Br)=CC=C1F |
| Synonym | 4-fluoro-3-methylphenylmagnesium bromide,olsgdqispracfy-uhfffaoysa-m,bromo 4-fluoro-3-methylphenyl magnesium,3-methyl-4-fluorophenyl magnesium bromide,4-fluoro-3-methylphenyl magnesium bromide,4-fluoro-3-methylphenylmagnesium bromide, 0.50 m in 2-methf,4-fluoro-3-methylphenylmagnesium bromide 0.5 m in tetrahydrofuran,4-fluoro-3-methylphenylmagnesium bromide solution, 1.0 m in thf,grignard reagent |
| IUPAC Name | magnesium;1-fluoro-2-methylbenzene-4-ide;bromide |
| InChI Key | OLSGDQISPRACFY-UHFFFAOYSA-M |
| Molecular Formula | C7H6BrFMg |
1,2,3-Trifluorobenzene, 98+%
CAS: 1489-53-8 Molecular Formula: C6H3F3 Molecular Weight (g/mol): 132.085 MDL Number: MFCD00012013 InChI Key: AJKNNUJQFALRIK-UHFFFAOYSA-N Synonym: trifluorobenzene,benzene, trifluoro,benzene, 1,2,3-trifluoro,3,4,5-trifluoro-benzene,pubchem1067,1,2,3-fluorobenzene,1,2,3-trifluorobenze,1,2,3-trifluorbenzen,1,2,6-trifluorobenzene,2,3,4-trifluorobenzene PubChem CID: 15147 IUPAC Name: 1,2,3-trifluorobenzene SMILES: C1=CC(=C(C(=C1)F)F)F
| PubChem CID | 15147 |
|---|---|
| CAS | 1489-53-8 |
| Molecular Weight (g/mol) | 132.085 |
| MDL Number | MFCD00012013 |
| SMILES | C1=CC(=C(C(=C1)F)F)F |
| Synonym | trifluorobenzene,benzene, trifluoro,benzene, 1,2,3-trifluoro,3,4,5-trifluoro-benzene,pubchem1067,1,2,3-fluorobenzene,1,2,3-trifluorobenze,1,2,3-trifluorbenzen,1,2,6-trifluorobenzene,2,3,4-trifluorobenzene |
| IUPAC Name | 1,2,3-trifluorobenzene |
| InChI Key | AJKNNUJQFALRIK-UHFFFAOYSA-N |
| Molecular Formula | C6H3F3 |
2-Bromo-1,3-difluorobenzene, 98%
CAS: 64248-56-2 Molecular Formula: C6H3BrF2 Molecular Weight (g/mol): 192.991 MDL Number: MFCD00009894 InChI Key: HRZTZLCMURHWFY-UHFFFAOYSA-N Synonym: 1-bromo-2,6-difluorobenzene,2,6-difluorobromobenzene,benzene, 2-bromo-1,3-difluoro,2-bromo-1,3-difluoro-benzene,m-difluorobromobenzene,pubchem3034,acmc-1bc5o,2,6-difluoro-bromobenzene,1-bromo-2,6-diflurobenzene PubChem CID: 123557 IUPAC Name: 2-bromo-1,3-difluorobenzene SMILES: C1=CC(=C(C(=C1)F)Br)F
| PubChem CID | 123557 |
|---|---|
| CAS | 64248-56-2 |
| Molecular Weight (g/mol) | 192.991 |
| MDL Number | MFCD00009894 |
| SMILES | C1=CC(=C(C(=C1)F)Br)F |
| Synonym | 1-bromo-2,6-difluorobenzene,2,6-difluorobromobenzene,benzene, 2-bromo-1,3-difluoro,2-bromo-1,3-difluoro-benzene,m-difluorobromobenzene,pubchem3034,acmc-1bc5o,2,6-difluoro-bromobenzene,1-bromo-2,6-diflurobenzene |
| IUPAC Name | 2-bromo-1,3-difluorobenzene |
| InChI Key | HRZTZLCMURHWFY-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrF2 |
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 |
1-Bromo-3-chloro-5-fluorobenzene, 98%, Thermo Scientific™
CAS: 33863-76-2 Molecular Formula: C6H3BrClF Molecular Weight (g/mol): 209.45 InChI Key: GGMDFPMASIXEIR-UHFFFAOYSA-N Synonym: 3-chloro-5-fluorobromobenzene,1-bromo3-chloro-5-fluorobenzene,1-bromo-3-chloro-5-fluoro-benzene,benzene, 1-bromo-3-chloro-5-fluoro,1,3,5-fluorochlorobromobenzene,pubchem2261,acmc-209i3i,ksc494q7t,3-chloro-5-fluoro-bromobenzene,1-bromo-3-chloro-5-flurobenzene PubChem CID: 2736223 IUPAC Name: 1-bromo-3-chloro-5-fluorobenzene SMILES: C1=C(C=C(C=C1Cl)Br)F
| PubChem CID | 2736223 |
|---|---|
| CAS | 33863-76-2 |
| Molecular Weight (g/mol) | 209.45 |
| SMILES | C1=C(C=C(C=C1Cl)Br)F |
| Synonym | 3-chloro-5-fluorobromobenzene,1-bromo3-chloro-5-fluorobenzene,1-bromo-3-chloro-5-fluoro-benzene,benzene, 1-bromo-3-chloro-5-fluoro,1,3,5-fluorochlorobromobenzene,pubchem2261,acmc-209i3i,ksc494q7t,3-chloro-5-fluoro-bromobenzene,1-bromo-3-chloro-5-flurobenzene |
| IUPAC Name | 1-bromo-3-chloro-5-fluorobenzene |
| InChI Key | GGMDFPMASIXEIR-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrClF |
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
| 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 |
1-Chloro-4-fluorobenzene, 98%
CAS: 352-33-0 Molecular Formula: C6H4ClF Molecular Weight (g/mol): 130.55 MDL Number: MFCD00000603 InChI Key: RJCGZNCCVKIBHO-UHFFFAOYSA-N Synonym: p-chlorofluorobenzene,p-fluorochlorobenzene,4-chlorofluorobenzene,benzene, 1-chloro-4-fluoro,1-fluoro-4-chlorobenzene,1-chloro-4-fluoro-benzene,4-fluorochlorobenzene,1,4-fluorochlorobenzene,p-chloro-fluorobenzene,pubchem3420 PubChem CID: 9604 IUPAC Name: 1-chloro-4-fluorobenzene SMILES: FC1=CC=C(Cl)C=C1
| PubChem CID | 9604 |
|---|---|
| CAS | 352-33-0 |
| Molecular Weight (g/mol) | 130.55 |
| MDL Number | MFCD00000603 |
| SMILES | FC1=CC=C(Cl)C=C1 |
| Synonym | p-chlorofluorobenzene,p-fluorochlorobenzene,4-chlorofluorobenzene,benzene, 1-chloro-4-fluoro,1-fluoro-4-chlorobenzene,1-chloro-4-fluoro-benzene,4-fluorochlorobenzene,1,4-fluorochlorobenzene,p-chloro-fluorobenzene,pubchem3420 |
| IUPAC Name | 1-chloro-4-fluorobenzene |
| InChI Key | RJCGZNCCVKIBHO-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClF |