Benzene and substituted derivatives
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5-Carbamoyl-2-fluorobenzeneboronic acid, 95%
CAS: 874289-39-1 Molecular Formula: C7H7BFNO3 Molecular Weight (g/mol): 182.95 MDL Number: MFCD08436055 InChI Key: NDVPMVJEURRBQM-UHFFFAOYSA-N Synonym: 3-borono-4-fluorobenzamide,5-carbamoyl-2-fluorophenyl boronic acid,5-carbamoyl-2-fluorobenzeneboronic acid,5-carbamoyl-2-fluorophenyboronic acid,acmc-209qmh,2-fluoro-5-carbamoylphenylboronic acid,5-carbamoyl-2-fluorophenyl boronicacid,5-carbamoyl-2-fluoro-phenyl boronic acid,5-carbamoyl-2-fluorobenzeneboronicacid PubChem CID: 44717478 IUPAC Name: (5-carbamoyl-2-fluorophenyl)boronic acid SMILES: NC(=O)C1=CC(B(O)O)=C(F)C=C1
| PubChem CID | 44717478 |
|---|---|
| CAS | 874289-39-1 |
| Molecular Weight (g/mol) | 182.95 |
| MDL Number | MFCD08436055 |
| SMILES | NC(=O)C1=CC(B(O)O)=C(F)C=C1 |
| Synonym | 3-borono-4-fluorobenzamide,5-carbamoyl-2-fluorophenyl boronic acid,5-carbamoyl-2-fluorobenzeneboronic acid,5-carbamoyl-2-fluorophenyboronic acid,acmc-209qmh,2-fluoro-5-carbamoylphenylboronic acid,5-carbamoyl-2-fluorophenyl boronicacid,5-carbamoyl-2-fluoro-phenyl boronic acid,5-carbamoyl-2-fluorobenzeneboronicacid |
| IUPAC Name | (5-carbamoyl-2-fluorophenyl)boronic acid |
| InChI Key | NDVPMVJEURRBQM-UHFFFAOYSA-N |
| Molecular Formula | C7H7BFNO3 |
2-Bromo-N-methylaniline, 95%
CAS: 6832-87-7 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.052 MDL Number: MFCD06798064 InChI Key: SMVIAQFTVWDWDS-UHFFFAOYSA-N PubChem CID: 334086 IUPAC Name: 2-bromo-N-methylaniline SMILES: CNC1=CC=CC=C1Br
| PubChem CID | 334086 |
|---|---|
| CAS | 6832-87-7 |
| Molecular Weight (g/mol) | 186.052 |
| MDL Number | MFCD06798064 |
| SMILES | CNC1=CC=CC=C1Br |
| IUPAC Name | 2-bromo-N-methylaniline |
| InChI Key | SMVIAQFTVWDWDS-UHFFFAOYSA-N |
| Molecular Formula | C7H8BrN |
4-n-Propoxyaniline, 97%
CAS: 4469-80-1 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.21 MDL Number: MFCD00043621 InChI Key: DWOIGSLSPPLRKO-UHFFFAOYSA-N Synonym: p-propoxyaniline,benzenamine, 4-propoxy,4-n-propoxyaniline,4-propoxyphenyl amine hydrochloride,4-propoxyphenylamine,hydrochloride,4-propyloxyaniline,4-propoxybenzenamine,4-propoxy-phenylamine PubChem CID: 78221 IUPAC Name: 4-propoxyaniline SMILES: CCCOC1=CC=C(N)C=C1
| PubChem CID | 78221 |
|---|---|
| CAS | 4469-80-1 |
| Molecular Weight (g/mol) | 151.21 |
| MDL Number | MFCD00043621 |
| SMILES | CCCOC1=CC=C(N)C=C1 |
| Synonym | p-propoxyaniline,benzenamine, 4-propoxy,4-n-propoxyaniline,4-propoxyphenyl amine hydrochloride,4-propoxyphenylamine,hydrochloride,4-propyloxyaniline,4-propoxybenzenamine,4-propoxy-phenylamine |
| IUPAC Name | 4-propoxyaniline |
| InChI Key | DWOIGSLSPPLRKO-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO |
3,5-Dimethoxybenzylamine, 98%
CAS: 34967-24-3 Molecular Formula: C9H13NO2 Molecular Weight (g/mol): 167.208 MDL Number: MFCD00052813 InChI Key: YGZJTYCCONJJGZ-UHFFFAOYSA-N Synonym: 3,5-dimethoxybenzylamine,3,5-dimethoxybenzyl amine,3,5-dimethoxyphenyl methanamine,1-3,5-dimethoxyphenyl methanamine,3,5-dimethoxy benzyl amine,3,5-dimethoxyphenyl methylamine,benzenemethanamine, 3,5-dimethoxy,pubchem7393,3,5-dimethoxy benzylamine,3,5-dimethoxy-benzylamine PubChem CID: 420973 IUPAC Name: (3,5-dimethoxyphenyl)methanamine SMILES: COC1=CC(=CC(=C1)CN)OC
| PubChem CID | 420973 |
|---|---|
| CAS | 34967-24-3 |
| Molecular Weight (g/mol) | 167.208 |
| MDL Number | MFCD00052813 |
| SMILES | COC1=CC(=CC(=C1)CN)OC |
| Synonym | 3,5-dimethoxybenzylamine,3,5-dimethoxybenzyl amine,3,5-dimethoxyphenyl methanamine,1-3,5-dimethoxyphenyl methanamine,3,5-dimethoxy benzyl amine,3,5-dimethoxyphenyl methylamine,benzenemethanamine, 3,5-dimethoxy,pubchem7393,3,5-dimethoxy benzylamine,3,5-dimethoxy-benzylamine |
| IUPAC Name | (3,5-dimethoxyphenyl)methanamine |
| InChI Key | YGZJTYCCONJJGZ-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO2 |
(S)-2,2'-Bis[bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphino]-4,4',6,6'-tetramethoxybiphenyl, 97+%
CAS: 1365531-99-2 Molecular Formula: C76H108O8P2 Molecular Weight (g/mol): 1211.64 MDL Number: MFCD20265636 InChI Key: KACYLFSRRUJDSY-UHFFFAOYSA-N Synonym: s-2,2'-bis bis 4-methoxy-3,5-di-t-butylphenyl phosphino-4,4',6,6'-tetramethoxybiphenyl PubChem CID: 87110675 IUPAC Name: [2-[2-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane SMILES: CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)P(C2=CC(=C(C(=C2)C(C)(C)C)OC)C(C)(C)C)C3=CC(=CC(=C3C4=C(C=C(C=C4P(C5=CC(=C(C(=C5)C(C)(C)C)OC)C(C)(C)C)C6=CC(=C(C(=C6)C(C)(C)C)OC)C(C)(C)C)OC)OC)OC)OC
| PubChem CID | 87110675 |
|---|---|
| CAS | 1365531-99-2 |
| Molecular Weight (g/mol) | 1211.64 |
| MDL Number | MFCD20265636 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)P(C2=CC(=C(C(=C2)C(C)(C)C)OC)C(C)(C)C)C3=CC(=CC(=C3C4=C(C=C(C=C4P(C5=CC(=C(C(=C5)C(C)(C)C)OC)C(C)(C)C)C6=CC(=C(C(=C6)C(C)(C)C)OC)C(C)(C)C)OC)OC)OC)OC |
| Synonym | s-2,2'-bis bis 4-methoxy-3,5-di-t-butylphenyl phosphino-4,4',6,6'-tetramethoxybiphenyl |
| IUPAC Name | [2-[2-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane |
| InChI Key | KACYLFSRRUJDSY-UHFFFAOYSA-N |
| Molecular Formula | C76H108O8P2 |
4'-Methylacetanilide, 98+%
CAS: 103-89-9 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.193 MDL Number: MFCD00008677 InChI Key: YICAMJWHIUMFDI-UHFFFAOYSA-N Synonym: 4'-methylacetanilide,p-acetotoluidide,n-4-methylphenyl acetamide,4-methylacetanilide,n-acetyl-p-toluidine,p-acetotoluide,acetyl-p-toluidine,p-acetotoluidine,acetamide, n-4-methylphenyl,4-acetotoluide PubChem CID: 7684 IUPAC Name: N-(4-methylphenyl)acetamide SMILES: CC1=CC=C(C=C1)NC(=O)C
| PubChem CID | 7684 |
|---|---|
| CAS | 103-89-9 |
| Molecular Weight (g/mol) | 149.193 |
| MDL Number | MFCD00008677 |
| SMILES | CC1=CC=C(C=C1)NC(=O)C |
| Synonym | 4'-methylacetanilide,p-acetotoluidide,n-4-methylphenyl acetamide,4-methylacetanilide,n-acetyl-p-toluidine,p-acetotoluide,acetyl-p-toluidine,p-acetotoluidine,acetamide, n-4-methylphenyl,4-acetotoluide |
| IUPAC Name | N-(4-methylphenyl)acetamide |
| InChI Key | YICAMJWHIUMFDI-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
4-Phenoxybenzyl bromide, 97%
CAS: 36881-42-2 Molecular Formula: C13H11BrO Molecular Weight (g/mol): 263.134 MDL Number: MFCD04038693 InChI Key: CPIGBCFBFZSCQI-UHFFFAOYSA-N PubChem CID: 1514251 IUPAC Name: 1-(bromomethyl)-4-phenoxybenzene SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)CBr
| PubChem CID | 1514251 |
|---|---|
| CAS | 36881-42-2 |
| Molecular Weight (g/mol) | 263.134 |
| MDL Number | MFCD04038693 |
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)CBr |
| IUPAC Name | 1-(bromomethyl)-4-phenoxybenzene |
| InChI Key | CPIGBCFBFZSCQI-UHFFFAOYSA-N |
| Molecular Formula | C13H11BrO |
2,4-Difluorobenzylmagnesium bromide, 0.25M in 2-MeTHF
CAS: 546122-71-8 Molecular Formula: C7H5BrF2Mg Molecular Weight (g/mol): 231.32 MDL Number: MFCD07698746 InChI Key: BPKTYCGKUHSSCG-UHFFFAOYSA-M Synonym: 2,4-difluorobenzylmagnesium bromide,bromo 2,4-difluorophenyl methyl magnesium,bpktycgkuhsscg-uhfffaoysa-m,2,4-difluorobenzyl magnesium bromide,2,4-difluorobenzylmagnesium bromide, 0.25m in 2-methf,2,4-difluorobenzylmagnesium bromide 0.25 m in diethyl ether,2,4-difluorobenzylmagnesium bromide, 0.25m in diethyl ether,2,4-difluorobenzylmagnesium bromide, 0.25m solution in diethyl ether,grignard reagent PubChem CID: 2778873 IUPAC Name: magnesium;2,4-difluoro-1-methanidylbenzene;bromide SMILES: FC1=CC(F)=C(C[Mg]Br)C=C1
| PubChem CID | 2778873 |
|---|---|
| CAS | 546122-71-8 |
| Molecular Weight (g/mol) | 231.32 |
| MDL Number | MFCD07698746 |
| SMILES | FC1=CC(F)=C(C[Mg]Br)C=C1 |
| Synonym | 2,4-difluorobenzylmagnesium bromide,bromo 2,4-difluorophenyl methyl magnesium,bpktycgkuhsscg-uhfffaoysa-m,2,4-difluorobenzyl magnesium bromide,2,4-difluorobenzylmagnesium bromide, 0.25m in 2-methf,2,4-difluorobenzylmagnesium bromide 0.25 m in diethyl ether,2,4-difluorobenzylmagnesium bromide, 0.25m in diethyl ether,2,4-difluorobenzylmagnesium bromide, 0.25m solution in diethyl ether,grignard reagent |
| IUPAC Name | magnesium;2,4-difluoro-1-methanidylbenzene;bromide |
| InChI Key | BPKTYCGKUHSSCG-UHFFFAOYSA-M |
| Molecular Formula | C7H5BrF2Mg |
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-]
| 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 |
4-Cyanomethyl-3-fluorobenzeneboronic acid pinacol ester, 96%, Thermo Scientific Chemicals
CAS: 1220219-61-3 Molecular Formula: C14H17BFNO2 Molecular Weight (g/mol): 261.103 InChI Key: SAFMDYCIEJEGJQ-UHFFFAOYSA-N Synonym: 2-2-fluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl acetonitrile,acmc-209ajh,2-fluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl acetonitrile,2-2-fluoro-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl phenyl acetonitrile,2-2-fluoro-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl acetonitrile PubChem CID: 54759097 IUPAC Name: 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)CC#N)F
| PubChem CID | 54759097 |
|---|---|
| CAS | 1220219-61-3 |
| Molecular Weight (g/mol) | 261.103 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)CC#N)F |
| Synonym | 2-2-fluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl acetonitrile,acmc-209ajh,2-fluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl acetonitrile,2-2-fluoro-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl phenyl acetonitrile,2-2-fluoro-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl acetonitrile |
| IUPAC Name | 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile |
| InChI Key | SAFMDYCIEJEGJQ-UHFFFAOYSA-N |
| Molecular Formula | C14H17BFNO2 |
1-Bromo-3-chloro-2-fluorobenzene, 95%
CAS: 144584-65-6 Molecular Formula: C6H3BrClF Molecular Weight (g/mol): 209.442 MDL Number: MFCD03412182 InChI Key: DRNWNTAANHEQMK-UHFFFAOYSA-N Synonym: 3-chloro-2-fluorobromobenzene,1-bromo-2-fluoro-3-chlorobenzene,1-bromo-3-chloro-2-fluoro-benzene,pubchem4338,acmc-1c0jw,intermediates-zcf02109,ksc493i6p,benzene,1-bromo-3-chloro-2-fluoro PubChem CID: 3685762 IUPAC Name: 1-bromo-3-chloro-2-fluorobenzene SMILES: C1=CC(=C(C(=C1)Br)F)Cl
| PubChem CID | 3685762 |
|---|---|
| CAS | 144584-65-6 |
| Molecular Weight (g/mol) | 209.442 |
| MDL Number | MFCD03412182 |
| SMILES | C1=CC(=C(C(=C1)Br)F)Cl |
| Synonym | 3-chloro-2-fluorobromobenzene,1-bromo-2-fluoro-3-chlorobenzene,1-bromo-3-chloro-2-fluoro-benzene,pubchem4338,acmc-1c0jw,intermediates-zcf02109,ksc493i6p,benzene,1-bromo-3-chloro-2-fluoro |
| IUPAC Name | 1-bromo-3-chloro-2-fluorobenzene |
| InChI Key | DRNWNTAANHEQMK-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrClF |
2-Bromomethyl-4-fluorobenzonitrile, 98%
CAS: 421552-12-7 Molecular Formula: C8H5BrFN Molecular Weight (g/mol): 214.04 MDL Number: MFCD08059542 InChI Key: CHCAGFNTASDQFX-UHFFFAOYSA-N Synonym: 2-cyano-5-fluorobenzyl bromide,2-bromomethyl-4-fluorobenzonitrile,2-cyano-5-fluorobenzylbromide,2-cyano-5-fluoro benzyl bromide,2-bromomethyl-4-fluoro-benzonitrile,2-bromomethyl-4-fluorobenzenecarbonitrile,pubchem4906,acmc-1arut,ksc493s9t,2-cyano-5-flurobenzyl bromide PubChem CID: 21984990 IUPAC Name: 2-(bromomethyl)-4-fluorobenzonitrile SMILES: FC1=CC(CBr)=C(C=C1)C#N
| PubChem CID | 21984990 |
|---|---|
| CAS | 421552-12-7 |
| Molecular Weight (g/mol) | 214.04 |
| MDL Number | MFCD08059542 |
| SMILES | FC1=CC(CBr)=C(C=C1)C#N |
| Synonym | 2-cyano-5-fluorobenzyl bromide,2-bromomethyl-4-fluorobenzonitrile,2-cyano-5-fluorobenzylbromide,2-cyano-5-fluoro benzyl bromide,2-bromomethyl-4-fluoro-benzonitrile,2-bromomethyl-4-fluorobenzenecarbonitrile,pubchem4906,acmc-1arut,ksc493s9t,2-cyano-5-flurobenzyl bromide |
| IUPAC Name | 2-(bromomethyl)-4-fluorobenzonitrile |
| InChI Key | CHCAGFNTASDQFX-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrFN |
2,5-Difluorobenzotrifluoride, 98%
CAS: 393-38-4 Molecular Formula: C7H3F5 Molecular Weight (g/mol): 182.09 MDL Number: MFCD00042494 InChI Key: BLDOSVXRDMTZQE-UHFFFAOYSA-N Synonym: 2,5-difluorobenzotrifluoride,1,4-difluoro-2-trifluoromethyl benzene,1,4-difluoro-2-trifluoromethyl-benzene,benzene, 1,4-difluoro-2-trifluoromethyl,pubchem1650,1-trifluoromethyl-2,5-difluorobenzene PubChem CID: 11111097 IUPAC Name: 1,4-difluoro-2-(trifluoromethyl)benzene SMILES: FC1=CC(=C(F)C=C1)C(F)(F)F
| PubChem CID | 11111097 |
|---|---|
| CAS | 393-38-4 |
| Molecular Weight (g/mol) | 182.09 |
| MDL Number | MFCD00042494 |
| SMILES | FC1=CC(=C(F)C=C1)C(F)(F)F |
| Synonym | 2,5-difluorobenzotrifluoride,1,4-difluoro-2-trifluoromethyl benzene,1,4-difluoro-2-trifluoromethyl-benzene,benzene, 1,4-difluoro-2-trifluoromethyl,pubchem1650,1-trifluoromethyl-2,5-difluorobenzene |
| IUPAC Name | 1,4-difluoro-2-(trifluoromethyl)benzene |
| InChI Key | BLDOSVXRDMTZQE-UHFFFAOYSA-N |
| Molecular Formula | C7H3F5 |
2,3-Dimethylbenzaldehyde, 97%
CAS: 5779-93-1 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00798004 InChI Key: UIFVCPMLQXKEEU-UHFFFAOYSA-N Synonym: benzaldehyde, dimethyl,hemellitaldehyde,dimethylbenzaldehyde,o-xylene-3-carboxaldehyde,dimethylformylbenzene,xylene-formaldehyde,pubchem3080,acmc-1ake8,2,3-dimethyl-benzaldehyde,2,3-dimethyl benzaldehyde PubChem CID: 34224 IUPAC Name: 2,3-dimethylbenzaldehyde SMILES: CC1=CC=CC(=C1C)C=O
| PubChem CID | 34224 |
|---|---|
| CAS | 5779-93-1 |
| Molecular Weight (g/mol) | 134.178 |
| MDL Number | MFCD00798004 |
| SMILES | CC1=CC=CC(=C1C)C=O |
| Synonym | benzaldehyde, dimethyl,hemellitaldehyde,dimethylbenzaldehyde,o-xylene-3-carboxaldehyde,dimethylformylbenzene,xylene-formaldehyde,pubchem3080,acmc-1ake8,2,3-dimethyl-benzaldehyde,2,3-dimethyl benzaldehyde |
| IUPAC Name | 2,3-dimethylbenzaldehyde |
| InChI Key | UIFVCPMLQXKEEU-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
2-Bromo-1-fluoro-4-nitrobenzene, 95%
CAS: 701-45-1 Molecular Formula: C6H3BrFNO2 Molecular Weight (g/mol): 219.997 MDL Number: MFCD00055433 InChI Key: FAWMTDSAMOCUAR-UHFFFAOYSA-N Synonym: 3-bromo-4-fluoronitrobenzene,1-bromo-2-fluoro-5-nitrobenzene,3-bromo-4-fluoro-1-nitrobenzene,2-bromo-1-fluoro-4-nitro-benzene,2-bromo-4-nitrofluorobenzene,benzene, 2-bromo-1-fluoro-4-nitro,pubchem8499,acmc-1birt,3-bromo-4-fluoronitrobezene,ksc494c7t PubChem CID: 69699 IUPAC Name: 2-bromo-1-fluoro-4-nitrobenzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Br)F
| PubChem CID | 69699 |
|---|---|
| CAS | 701-45-1 |
| Molecular Weight (g/mol) | 219.997 |
| MDL Number | MFCD00055433 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Br)F |
| Synonym | 3-bromo-4-fluoronitrobenzene,1-bromo-2-fluoro-5-nitrobenzene,3-bromo-4-fluoro-1-nitrobenzene,2-bromo-1-fluoro-4-nitro-benzene,2-bromo-4-nitrofluorobenzene,benzene, 2-bromo-1-fluoro-4-nitro,pubchem8499,acmc-1birt,3-bromo-4-fluoronitrobezene,ksc494c7t |
| IUPAC Name | 2-bromo-1-fluoro-4-nitrobenzene |
| InChI Key | FAWMTDSAMOCUAR-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrFNO2 |