Benzenoids
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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 |
4-Methoxybenzenesulfonamide, 95%
CAS: 1129-26-6 MDL Number: MFCD00025392 InChI Key: MSFQEZBRFPAFEX-UHFFFAOYSA-N Synonym: 4-methoxybenzenesulphonamide,p-methoxybenzenesulfonamide,4-methoxybenzene-1-sulfonamide,benzenesulfonamide, 4-methoxy,4-methoxy-benzenesulfonamide,benzenesulfonamide, p-methoxy,benzenesulfonamide, p-methoxy-6ci,7ci,8ci,3lka,p-anisolesulfonamide,acmc-1bvgf PubChem CID: 70789 IUPAC Name: 4-methoxybenzenesulfonamide SMILES: COC1=CC=C(C=C1)S(=O)(=O)N
| PubChem CID | 70789 |
|---|---|
| CAS | 1129-26-6 |
| MDL Number | MFCD00025392 |
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)N |
| Synonym | 4-methoxybenzenesulphonamide,p-methoxybenzenesulfonamide,4-methoxybenzene-1-sulfonamide,benzenesulfonamide, 4-methoxy,4-methoxy-benzenesulfonamide,benzenesulfonamide, p-methoxy,benzenesulfonamide, p-methoxy-6ci,7ci,8ci,3lka,p-anisolesulfonamide,acmc-1bvgf |
| IUPAC Name | 4-methoxybenzenesulfonamide |
| InChI Key | MSFQEZBRFPAFEX-UHFFFAOYSA-N |
Phenyl acetate, 97%
CAS: 122-79-2 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00008699 InChI Key: IPBVNPXQWQGGJP-UHFFFAOYSA-N Synonym: acetic acid phenyl ester,phenol acetate,acetylphenol,acetic acid, phenyl ester,acetyl phenol,acetoxybenzene,acetates,acetic acid,phenyl ester,fenylester kyseliny octove,fenylester kyseliny octove czech PubChem CID: 31229 ChEBI: CHEBI:8082 IUPAC Name: phenyl acetate SMILES: CC(=O)OC1=CC=CC=C1
| PubChem CID | 31229 |
|---|---|
| CAS | 122-79-2 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:8082 |
| MDL Number | MFCD00008699 |
| SMILES | CC(=O)OC1=CC=CC=C1 |
| Synonym | acetic acid phenyl ester,phenol acetate,acetylphenol,acetic acid, phenyl ester,acetyl phenol,acetoxybenzene,acetates,acetic acid,phenyl ester,fenylester kyseliny octove,fenylester kyseliny octove czech |
| IUPAC Name | phenyl acetate |
| InChI Key | IPBVNPXQWQGGJP-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
2-Fluoro-4-iodoaniline, 99%
CAS: 29632-74-4 Molecular Formula: C6H5FIN Molecular Weight (g/mol): 237.016 MDL Number: MFCD00011738 InChI Key: CUMTUBVTKOYYOU-UHFFFAOYSA-N Synonym: 2-fluoro-4-iodo-phenylamine,benzenamine, 2-fluoro-4-iodo,2-fluoro-4-iodobenzenamine,2-fluoro-4-iodo aniline,2-fluoro-4-iodo-aniline,2-fluoro-4-iodophenylamine,zlchem 543,pubchem1532,2-fluoro4-iodoaniline,2-fluoro-4-iodaniline PubChem CID: 185694 IUPAC Name: 2-fluoro-4-iodoaniline SMILES: C1=CC(=C(C=C1I)F)N
| PubChem CID | 185694 |
|---|---|
| CAS | 29632-74-4 |
| Molecular Weight (g/mol) | 237.016 |
| MDL Number | MFCD00011738 |
| SMILES | C1=CC(=C(C=C1I)F)N |
| Synonym | 2-fluoro-4-iodo-phenylamine,benzenamine, 2-fluoro-4-iodo,2-fluoro-4-iodobenzenamine,2-fluoro-4-iodo aniline,2-fluoro-4-iodo-aniline,2-fluoro-4-iodophenylamine,zlchem 543,pubchem1532,2-fluoro4-iodoaniline,2-fluoro-4-iodaniline |
| IUPAC Name | 2-fluoro-4-iodoaniline |
| InChI Key | CUMTUBVTKOYYOU-UHFFFAOYSA-N |
| Molecular Formula | C6H5FIN |
2-(Methylthio)naphthalene, 98%
CAS: 7433-79-6 Molecular Formula: C11H10S Molecular Weight (g/mol): 174.261 MDL Number: MFCD00051615 InChI Key: SSKUUDUKJMIOKQ-UHFFFAOYSA-N Synonym: 2-methylthio naphthalene,2-methylmercaptonaphthalene,2-methylsulfanyl naphthalene,2-methylthionaphthalene,methyl2-naphthylsulfide,methyl 2-naphthyl sulfide,naphth-2-yl methyl thioether,naphthalene,2-methylthio,methyl naphthalen-2-yl sulfane PubChem CID: 139022 IUPAC Name: 2-methylsulfanylnaphthalene SMILES: CSC1=CC2=CC=CC=C2C=C1
| PubChem CID | 139022 |
|---|---|
| CAS | 7433-79-6 |
| Molecular Weight (g/mol) | 174.261 |
| MDL Number | MFCD00051615 |
| SMILES | CSC1=CC2=CC=CC=C2C=C1 |
| Synonym | 2-methylthio naphthalene,2-methylmercaptonaphthalene,2-methylsulfanyl naphthalene,2-methylthionaphthalene,methyl2-naphthylsulfide,methyl 2-naphthyl sulfide,naphth-2-yl methyl thioether,naphthalene,2-methylthio,methyl naphthalen-2-yl sulfane |
| IUPAC Name | 2-methylsulfanylnaphthalene |
| InChI Key | SSKUUDUKJMIOKQ-UHFFFAOYSA-N |
| Molecular Formula | C11H10S |
2-Amino-5-methylbenzenesulfonic acid, 99%
CAS: 88-44-8 Molecular Formula: C7H9NO3S Molecular Weight (g/mol): 187.21 MDL Number: MFCD00007908 InChI Key: LTPSRQRIPCVMKQ-UHFFFAOYSA-N Synonym: 4-aminotoluene-3-sulfonic acid,ptmsptmsa,ptms,ptmsa,benzenesulfonic acid, 2-amino-5-methyl,6-amino-m-toluenesulfonic acid,red 4b acid,p-toluidine-2-sulfonic acid,p-toluidine-m-sulfonic acid,m-toluenesulfonic acid, 6-amino PubChem CID: 6934 IUPAC Name: 2-amino-5-methylbenzenesulfonic acid SMILES: CC1=CC=C(N)C(=C1)S(O)(=O)=O
| PubChem CID | 6934 |
|---|---|
| CAS | 88-44-8 |
| Molecular Weight (g/mol) | 187.21 |
| MDL Number | MFCD00007908 |
| SMILES | CC1=CC=C(N)C(=C1)S(O)(=O)=O |
| Synonym | 4-aminotoluene-3-sulfonic acid,ptmsptmsa,ptms,ptmsa,benzenesulfonic acid, 2-amino-5-methyl,6-amino-m-toluenesulfonic acid,red 4b acid,p-toluidine-2-sulfonic acid,p-toluidine-m-sulfonic acid,m-toluenesulfonic acid, 6-amino |
| IUPAC Name | 2-amino-5-methylbenzenesulfonic acid |
| InChI Key | LTPSRQRIPCVMKQ-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO3S |
3-Fluoro-4-methylbenzeneboronic acid, 98%
CAS: 168267-99-0 Molecular Formula: C7H8BFO2 Molecular Weight (g/mol): 153.947 MDL Number: MFCD02683115 InChI Key: WPVBHUUZDFUIJA-UHFFFAOYSA-N Synonym: 3-fluoro-4-methylbenzeneboronic acid,3-fluoro-4-methylphenyl boronic acid,3-fluoro-p-tolylboronic acid,3-fluoro-4-methylphenyl-boronic acid,boronic acid, 3-fluoro-4-methylphenyl,pubchem5124,3-fluoro-4-methyl-phenyl boronic acid,acmc-209dxx,ksc173s0n PubChem CID: 2782674 IUPAC Name: (3-fluoro-4-methylphenyl)boronic acid SMILES: B(C1=CC(=C(C=C1)C)F)(O)O
| PubChem CID | 2782674 |
|---|---|
| CAS | 168267-99-0 |
| Molecular Weight (g/mol) | 153.947 |
| MDL Number | MFCD02683115 |
| SMILES | B(C1=CC(=C(C=C1)C)F)(O)O |
| Synonym | 3-fluoro-4-methylbenzeneboronic acid,3-fluoro-4-methylphenyl boronic acid,3-fluoro-p-tolylboronic acid,3-fluoro-4-methylphenyl-boronic acid,boronic acid, 3-fluoro-4-methylphenyl,pubchem5124,3-fluoro-4-methyl-phenyl boronic acid,acmc-209dxx,ksc173s0n |
| IUPAC Name | (3-fluoro-4-methylphenyl)boronic acid |
| InChI Key | WPVBHUUZDFUIJA-UHFFFAOYSA-N |
| Molecular Formula | C7H8BFO2 |
2-Bromo-5-chloroanisole, 98+%
CAS: 174913-09-8 Molecular Formula: C7H6BrClO Molecular Weight (g/mol): 221.478 MDL Number: MFCD03790889 InChI Key: CQGYLDZGJLVLMK-UHFFFAOYSA-N Synonym: 2-bromo-5-chloroanisole,benzene, 1-bromo-4-chloro-2-methoxy,pubchem5265,acmc-1c20c,ksc497i0p,2-bromo-5-chloroanisole, 98+%,2-methoxy-4-chloro-1-bromobenzene,1-bromo-4-chloro-2-methoxy-benzene PubChem CID: 17984845 IUPAC Name: 1-bromo-4-chloro-2-methoxybenzene SMILES: COC1=C(C=CC(=C1)Cl)Br
| PubChem CID | 17984845 |
|---|---|
| CAS | 174913-09-8 |
| Molecular Weight (g/mol) | 221.478 |
| MDL Number | MFCD03790889 |
| SMILES | COC1=C(C=CC(=C1)Cl)Br |
| Synonym | 2-bromo-5-chloroanisole,benzene, 1-bromo-4-chloro-2-methoxy,pubchem5265,acmc-1c20c,ksc497i0p,2-bromo-5-chloroanisole, 98+%,2-methoxy-4-chloro-1-bromobenzene,1-bromo-4-chloro-2-methoxy-benzene |
| IUPAC Name | 1-bromo-4-chloro-2-methoxybenzene |
| InChI Key | CQGYLDZGJLVLMK-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrClO |
Methyl 4-iodo-3-nitrobenzoate, 99%
CAS: 89976-27-2 Molecular Formula: C8H6INO4 Molecular Weight (g/mol): 307.043 MDL Number: MFCD08064223 InChI Key: SCMBIQRYVKITCY-UHFFFAOYSA-N PubChem CID: 297884 IUPAC Name: methyl 4-iodo-3-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)I)[N+](=O)[O-]
| PubChem CID | 297884 |
|---|---|
| CAS | 89976-27-2 |
| Molecular Weight (g/mol) | 307.043 |
| MDL Number | MFCD08064223 |
| SMILES | COC(=O)C1=CC(=C(C=C1)I)[N+](=O)[O-] |
| IUPAC Name | methyl 4-iodo-3-nitrobenzoate |
| InChI Key | SCMBIQRYVKITCY-UHFFFAOYSA-N |
| Molecular Formula | C8H6INO4 |
1-Bromo-2-chloro-4-fluorobenzene, 98%, Thermo Scientific Chemicals
CAS: 110407-59-5 Molecular Formula: C6H3BrClF Molecular Weight (g/mol): 209.442 MDL Number: MFCD00142587 InChI Key: LEFQPBAWVJEIJS-UHFFFAOYSA-N Synonym: 2-chloro-4-fluorobromobenzene,4-bromo-3-chloro-1-fluorobenzene,1-bromo-2-chloro-4-fluoro-benzene,4-bromo-3-chlorofluorobenzene,2-bromo-5-fluorochlorobenzene,benzene, 1-bromo-2-chloro-4-fluoro,pubchem3755,acmc-1bnv0,2-chloro-4-fluorobromobezene,ksc494m7f PubChem CID: 2733406 IUPAC Name: 1-bromo-2-chloro-4-fluorobenzene SMILES: C1=CC(=C(C=C1F)Cl)Br
| PubChem CID | 2733406 |
|---|---|
| CAS | 110407-59-5 |
| Molecular Weight (g/mol) | 209.442 |
| MDL Number | MFCD00142587 |
| SMILES | C1=CC(=C(C=C1F)Cl)Br |
| Synonym | 2-chloro-4-fluorobromobenzene,4-bromo-3-chloro-1-fluorobenzene,1-bromo-2-chloro-4-fluoro-benzene,4-bromo-3-chlorofluorobenzene,2-bromo-5-fluorochlorobenzene,benzene, 1-bromo-2-chloro-4-fluoro,pubchem3755,acmc-1bnv0,2-chloro-4-fluorobromobezene,ksc494m7f |
| IUPAC Name | 1-bromo-2-chloro-4-fluorobenzene |
| InChI Key | LEFQPBAWVJEIJS-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrClF |
5-Chloro-2-methylphenol, 98%
CAS: 5306-98-9 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.58 MDL Number: MFCD00060672 InChI Key: KKFPXGXMSBBNJI-UHFFFAOYSA-N Synonym: 5-chloro-o-cresol,5-chloro-2-cresol,o-cresol, 5-chloro,phenol, 5-chloro-2-methyl,3-chloro-6-methylphenol,2-methyl-5-chlorophenol,4-chloro-2-hydroxytoluene,5-chloro-2-methyl-phenol,phenol,5-chloro-2-methyl PubChem CID: 79192 IUPAC Name: 5-chloro-2-methylphenol SMILES: CC1=CC=C(Cl)C=C1O
| PubChem CID | 79192 |
|---|---|
| CAS | 5306-98-9 |
| Molecular Weight (g/mol) | 142.58 |
| MDL Number | MFCD00060672 |
| SMILES | CC1=CC=C(Cl)C=C1O |
| Synonym | 5-chloro-o-cresol,5-chloro-2-cresol,o-cresol, 5-chloro,phenol, 5-chloro-2-methyl,3-chloro-6-methylphenol,2-methyl-5-chlorophenol,4-chloro-2-hydroxytoluene,5-chloro-2-methyl-phenol,phenol,5-chloro-2-methyl |
| IUPAC Name | 5-chloro-2-methylphenol |
| InChI Key | KKFPXGXMSBBNJI-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClO |
4-Bromo-2,5-difluorophenol, 99%
CAS: 486424-36-6 Molecular Formula: C6H3BrF2O Molecular Weight (g/mol): 208.99 MDL Number: MFCD04973751 InChI Key: BYZMZJIWCQTYSR-UHFFFAOYSA-N Synonym: 1-bromo-2,5-difluoro-4-hydroxybenzene,4-bromo-2,5-difluoro-phenol,phenol, 4-bromo-2,5-difluoro,acmc-20amnw,phenol,4-bromo-2,5-difluoro,4-bromanyl-2,5-bis fluoranyl phenol,1-hydroxy-4-bromo-2,5-difluoro-benzene PubChem CID: 7018042 IUPAC Name: 4-bromo-2,5-difluorophenol SMILES: C1=C(C(=CC(=C1F)Br)F)O
| PubChem CID | 7018042 |
|---|---|
| CAS | 486424-36-6 |
| Molecular Weight (g/mol) | 208.99 |
| MDL Number | MFCD04973751 |
| SMILES | C1=C(C(=CC(=C1F)Br)F)O |
| Synonym | 1-bromo-2,5-difluoro-4-hydroxybenzene,4-bromo-2,5-difluoro-phenol,phenol, 4-bromo-2,5-difluoro,acmc-20amnw,phenol,4-bromo-2,5-difluoro,4-bromanyl-2,5-bis fluoranyl phenol,1-hydroxy-4-bromo-2,5-difluoro-benzene |
| IUPAC Name | 4-bromo-2,5-difluorophenol |
| InChI Key | BYZMZJIWCQTYSR-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrF2O |
5-Bromo-3-nitrosalicylaldehyde, 97%
CAS: 16634-88-1 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00130110 InChI Key: YEYPSUQQZNDKDE-UHFFFAOYSA-N Synonym: 5-bromo-2-hydroxy-3-nitrobenzaldehyde,5-bromo-3-nitrosalicylaldehyde,benzaldehyde, 5-bromo-2-hydroxy-3-nitro,3-nitro-5-bromosalicylaldehyde,benzaldehyde,5-bromo-2-hydroxy-3-nitro,salicylaldehyde, 5-bromo-3-nitro,acmc-209du3,5-bromo-3-nitrosalicyladehyde,2-hydroxy-3-nitro-5-bromobenzaldehyde PubChem CID: 618699 SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)C=O)Br
| PubChem CID | 618699 |
|---|---|
| CAS | 16634-88-1 |
| Molecular Weight (g/mol) | 246.016 |
| MDL Number | MFCD00130110 |
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)C=O)Br |
| Synonym | 5-bromo-2-hydroxy-3-nitrobenzaldehyde,5-bromo-3-nitrosalicylaldehyde,benzaldehyde, 5-bromo-2-hydroxy-3-nitro,3-nitro-5-bromosalicylaldehyde,benzaldehyde,5-bromo-2-hydroxy-3-nitro,salicylaldehyde, 5-bromo-3-nitro,acmc-209du3,5-bromo-3-nitrosalicyladehyde,2-hydroxy-3-nitro-5-bromobenzaldehyde |
| InChI Key | YEYPSUQQZNDKDE-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrNO4 |
2,6-Dimethyl-4-nitroanisole, 99%
CAS: 14804-39-8 Molecular Formula: C9H11NO3 Molecular Weight (g/mol): 181.19 MDL Number: MFCD00024537 InChI Key: HSDNHFOJTRMGER-UHFFFAOYSA-N Synonym: 2,6-dimethyl-4-nitroanisole,m-xylene, 2-methoxy-5-nitro,benzene,2-methoxy-1,3-dimethyl-5-nitro,acmc-20ao84,m-xylene, 2-methoxy-5-nitro-,,4-methoxy-3,5-dimethylnitrobenzene,2,6-dimethyl-1-methoxy-4-nitrobenzene,2-methoxy-1,3-di-methyl-5-nitrobenzene,benzene, 2-methoxy-1,3-dimethyl-5-nitro PubChem CID: 139835 IUPAC Name: 2-methoxy-1,3-dimethyl-5-nitrobenzene SMILES: COC1=C(C)C=C(C=C1C)[N+]([O-])=O
| PubChem CID | 139835 |
|---|---|
| CAS | 14804-39-8 |
| Molecular Weight (g/mol) | 181.19 |
| MDL Number | MFCD00024537 |
| SMILES | COC1=C(C)C=C(C=C1C)[N+]([O-])=O |
| Synonym | 2,6-dimethyl-4-nitroanisole,m-xylene, 2-methoxy-5-nitro,benzene,2-methoxy-1,3-dimethyl-5-nitro,acmc-20ao84,m-xylene, 2-methoxy-5-nitro-,,4-methoxy-3,5-dimethylnitrobenzene,2,6-dimethyl-1-methoxy-4-nitrobenzene,2-methoxy-1,3-di-methyl-5-nitrobenzene,benzene, 2-methoxy-1,3-dimethyl-5-nitro |
| IUPAC Name | 2-methoxy-1,3-dimethyl-5-nitrobenzene |
| InChI Key | HSDNHFOJTRMGER-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO3 |
3-Bromo-5-(trifluoromethyl)benzaldehyde, 97%
CAS: 477535-41-4 Molecular Formula: C8H4BrF3O Molecular Weight (g/mol): 253.02 MDL Number: MFCD08059506 InChI Key: PCRLZGCXLNNMFL-UHFFFAOYSA-N Synonym: 3-bromo-5-trifluoromethyl benzaldehyde,benzaldehyde, 3-bromo-5-trifluoromethyl,3-trifluoromethyl-5-bromobenzaldehyde,3-bromo-5-trifluoromethyl-benzaldehyde,pubchem16131,acmc-209kad,ksc496e1r,3-bromo-5-formylbenzotrifluoride,5-bromo-3-trifluoromethyl benzaldehyde PubChem CID: 16115438 IUPAC Name: 3-bromo-5-(trifluoromethyl)benzaldehyde SMILES: FC(F)(F)C1=CC(Br)=CC(C=O)=C1
| PubChem CID | 16115438 |
|---|---|
| CAS | 477535-41-4 |
| Molecular Weight (g/mol) | 253.02 |
| MDL Number | MFCD08059506 |
| SMILES | FC(F)(F)C1=CC(Br)=CC(C=O)=C1 |
| Synonym | 3-bromo-5-trifluoromethyl benzaldehyde,benzaldehyde, 3-bromo-5-trifluoromethyl,3-trifluoromethyl-5-bromobenzaldehyde,3-bromo-5-trifluoromethyl-benzaldehyde,pubchem16131,acmc-209kad,ksc496e1r,3-bromo-5-formylbenzotrifluoride,5-bromo-3-trifluoromethyl benzaldehyde |
| IUPAC Name | 3-bromo-5-(trifluoromethyl)benzaldehyde |
| InChI Key | PCRLZGCXLNNMFL-UHFFFAOYSA-N |
| Molecular Formula | C8H4BrF3O |