Benzene and substituted derivatives
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4-(2-Cyano-2-propyl)benzeneboronic acid, 97%, Thermo Scientific™
CAS: 850568-67-1 Molecular Formula: C10H12BNO2 Molecular Weight (g/mol): 189.021 MDL Number: MFCD06659832 InChI Key: BNXBFDTWYHAEIR-UHFFFAOYSA-N Synonym: 2-4-boronophenyl-2-methylpropanenitrile,4-2-cyanopropan-2-yl phenylboronic acid,4-1-cyano-1-methylethyl phenyl boronic acid,2-4-boronophenyl-2-methylpropionitrile,4-2-cyanopropan-2-yl benzeneboronic acid,4-2-cyanopropan-2-yl phenyl boronic acid,4-1-cyano-1-methylethyl phenylboronic acid,4-2-cyanoprop-2-yl benzeneboronic acid,boronic acid, 4-1-cyano-1-methylethyl phenyl PubChem CID: 44119324 IUPAC Name: [4-(2-cyanopropan-2-yl)phenyl]boronic acid SMILES: B(C1=CC=C(C=C1)C(C)(C)C#N)(O)O
| PubChem CID | 44119324 |
|---|---|
| CAS | 850568-67-1 |
| Molecular Weight (g/mol) | 189.021 |
| MDL Number | MFCD06659832 |
| SMILES | B(C1=CC=C(C=C1)C(C)(C)C#N)(O)O |
| Synonym | 2-4-boronophenyl-2-methylpropanenitrile,4-2-cyanopropan-2-yl phenylboronic acid,4-1-cyano-1-methylethyl phenyl boronic acid,2-4-boronophenyl-2-methylpropionitrile,4-2-cyanopropan-2-yl benzeneboronic acid,4-2-cyanopropan-2-yl phenyl boronic acid,4-1-cyano-1-methylethyl phenylboronic acid,4-2-cyanoprop-2-yl benzeneboronic acid,boronic acid, 4-1-cyano-1-methylethyl phenyl |
| IUPAC Name | [4-(2-cyanopropan-2-yl)phenyl]boronic acid |
| InChI Key | BNXBFDTWYHAEIR-UHFFFAOYSA-N |
| Molecular Formula | C10H12BNO2 |
2-Fluoro-4-(trifluoromethyl)benzaldehyde, 97%
CAS: 89763-93-9 Molecular Formula: C8H4F4O Molecular Weight (g/mol): 192.113 MDL Number: MFCD00061310 InChI Key: KFEHNXLFIGPWNB-UHFFFAOYSA-N Synonym: 2-fluoro-4-trifluoromethyl benzaldehyde,benzaldehyde, 2-fluoro-4-trifluoromethyl,pubchem4235,acmc-209r2s,ksc496e9p,attercop-chm at111109,a,a,a,2-tetrafluoro-p-tolualdehyde,2-fluoro-4-trifluoromethyl benzaldehy,2-fluoro-4-trifluoromethyl-benzaldehyde,2-fluoro4-trifluoromethyl benzaldehyde PubChem CID: 522929 IUPAC Name: 2-fluoro-4-(trifluoromethyl)benzaldehyde SMILES: C1=CC(=C(C=C1C(F)(F)F)F)C=O
| PubChem CID | 522929 |
|---|---|
| CAS | 89763-93-9 |
| Molecular Weight (g/mol) | 192.113 |
| MDL Number | MFCD00061310 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)F)C=O |
| Synonym | 2-fluoro-4-trifluoromethyl benzaldehyde,benzaldehyde, 2-fluoro-4-trifluoromethyl,pubchem4235,acmc-209r2s,ksc496e9p,attercop-chm at111109,a,a,a,2-tetrafluoro-p-tolualdehyde,2-fluoro-4-trifluoromethyl benzaldehy,2-fluoro-4-trifluoromethyl-benzaldehyde,2-fluoro4-trifluoromethyl benzaldehyde |
| IUPAC Name | 2-fluoro-4-(trifluoromethyl)benzaldehyde |
| InChI Key | KFEHNXLFIGPWNB-UHFFFAOYSA-N |
| Molecular Formula | C8H4F4O |
Polyanetholesulfonic Acid Sodium Salt, Reagent Grade, MP Biomedicals™
CAS: 52993-95-0 Molecular Formula: (C10H11O4SNa)n MDL Number: MFCD00148427 Synonym: sodium anethole,benzenesulfonic acid, methoxypropenyl-, sodium salt, homopolymer,sodium methoxypropenylbenzenesulonate homopolymer,benzenesulfonic acid, methoxy 1-propenyl-, sodium salt, homopolymer,sodium 1-methoxy-4-e-prop-1-enyl benzene,benzenesulfonic acid, methoxy 1-propen-1-yl-, sodium salt 1:1 , homopolymer
| CAS | 52993-95-0 |
|---|---|
| MDL Number | MFCD00148427 |
| Synonym | sodium anethole,benzenesulfonic acid, methoxypropenyl-, sodium salt, homopolymer,sodium methoxypropenylbenzenesulonate homopolymer,benzenesulfonic acid, methoxy 1-propenyl-, sodium salt, homopolymer,sodium 1-methoxy-4-e-prop-1-enyl benzene,benzenesulfonic acid, methoxy 1-propen-1-yl-, sodium salt 1:1 , homopolymer |
| Molecular Formula | (C10H11O4SNa)n |
2-(Trifluoromethyl)phenylacetylene, 97%
CAS: 704-41-6 Molecular Formula: C9H5F3 Molecular Weight (g/mol): 170.134 MDL Number: MFCD00467313 InChI Key: OOZKONVIIMFOKW-UHFFFAOYSA-N Synonym: 1-ethynyl-2-trifluoromethyl benzene,2'-trifluoromethylphenyl acetylene,2-trifluoromethyl phenylacetylene,2-ethynyl-alpha,alpha,alpha-trifluorotoluene,2-ethynyl-a,a,a-trifluorotoluene,1-ethynyl-2-trifluoromethylbenzene,2'-trifluoromethylphenylacetylene,2-ethynylbenzotrifluoride,o-ethynyl-trifluoromethylbenzene,2-trifluoromethyl phenyl ethyne,1-ethynyl-2-trifluoromethyl-benzene PubChem CID: 4100856 IUPAC Name: 1-ethynyl-2-(trifluoromethyl)benzene SMILES: C#CC1=CC=CC=C1C(F)(F)F
| PubChem CID | 4100856 |
|---|---|
| CAS | 704-41-6 |
| Molecular Weight (g/mol) | 170.134 |
| MDL Number | MFCD00467313 |
| SMILES | C#CC1=CC=CC=C1C(F)(F)F |
| Synonym | 1-ethynyl-2-trifluoromethyl benzene,2'-trifluoromethylphenyl acetylene,2-trifluoromethyl phenylacetylene,2-ethynyl-alpha,alpha,alpha-trifluorotoluene,2-ethynyl-a,a,a-trifluorotoluene,1-ethynyl-2-trifluoromethylbenzene,2'-trifluoromethylphenylacetylene,2-ethynylbenzotrifluoride,o-ethynyl-trifluoromethylbenzene,2-trifluoromethyl phenyl ethyne,1-ethynyl-2-trifluoromethyl-benzene |
| IUPAC Name | 1-ethynyl-2-(trifluoromethyl)benzene |
| InChI Key | OOZKONVIIMFOKW-UHFFFAOYSA-N |
| Molecular Formula | C9H5F3 |
4-Fluoro-3-nitroanisole, 95%
CAS: 61324-93-4 Molecular Formula: C7H6FNO3 Molecular Weight (g/mol): 171.127 MDL Number: MFCD11848442 InChI Key: ZRIKJXDEJYMBEJ-UHFFFAOYSA-N Synonym: 4-fluoro-3-nitroanisole,benzene, 1-fluoro-4-methoxy-2-nitro,3-fluoro-4-nitrobenzene,-1-methoxy,ksc613a5f,2-fluoro-5-methoxynitrobenzene,2-fluoro-5-methoxy-nitrobenzene,# PubChem CID: 565653 IUPAC Name: 1-fluoro-4-methoxy-2-nitrobenzene SMILES: COC1=CC(=C(C=C1)F)[N+](=O)[O-]
| PubChem CID | 565653 |
|---|---|
| CAS | 61324-93-4 |
| Molecular Weight (g/mol) | 171.127 |
| MDL Number | MFCD11848442 |
| SMILES | COC1=CC(=C(C=C1)F)[N+](=O)[O-] |
| Synonym | 4-fluoro-3-nitroanisole,benzene, 1-fluoro-4-methoxy-2-nitro,3-fluoro-4-nitrobenzene,-1-methoxy,ksc613a5f,2-fluoro-5-methoxynitrobenzene,2-fluoro-5-methoxy-nitrobenzene,# |
| IUPAC Name | 1-fluoro-4-methoxy-2-nitrobenzene |
| InChI Key | ZRIKJXDEJYMBEJ-UHFFFAOYSA-N |
| Molecular Formula | C7H6FNO3 |
2-Chlorostyrene, 95%, stab. with 0.1% 4-tert-butylcatechol
CAS: 2039-87-4 Molecular Formula: C8H7Cl Molecular Weight (g/mol): 138.594 MDL Number: MFCD00000567 InChI Key: ISRGONDNXBCDBM-UHFFFAOYSA-N Synonym: 2-chlorostyrene,1-chloro-2-vinylbenzene,o-chlorostyrene,benzene, 1-chloro-2-ethenyl,styrene, o-chloro,ortho-chlorostyrene,stryene, o-chloro,styrene, 2-chloro,unii-za43r4q315,ccris 4598 PubChem CID: 14906 IUPAC Name: 1-chloro-2-ethenylbenzene SMILES: C=CC1=CC=CC=C1Cl
| PubChem CID | 14906 |
|---|---|
| CAS | 2039-87-4 |
| Molecular Weight (g/mol) | 138.594 |
| MDL Number | MFCD00000567 |
| SMILES | C=CC1=CC=CC=C1Cl |
| Synonym | 2-chlorostyrene,1-chloro-2-vinylbenzene,o-chlorostyrene,benzene, 1-chloro-2-ethenyl,styrene, o-chloro,ortho-chlorostyrene,stryene, o-chloro,styrene, 2-chloro,unii-za43r4q315,ccris 4598 |
| IUPAC Name | 1-chloro-2-ethenylbenzene |
| InChI Key | ISRGONDNXBCDBM-UHFFFAOYSA-N |
| Molecular Formula | C8H7Cl |
2-Methyl-1-phenyl-2-propen-1-ol, tech. 85%
CAS: 4383-08-8 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.21 MDL Number: MFCD00046630 InChI Key: ZGYBYYJGIKPBFD-UHFFFAOYNA-N Synonym: 2-methyl-1-phenyl-2-propen-1-ol,acmc-1bn9z,alpha-isopropenylbenzenemethanol,1-phenyl-2-methyl-2-propen-1-ol,2,6-dichloro-9-methyl-10h-purine PubChem CID: 138211 IUPAC Name: 2-methyl-1-phenylprop-2-en-1-ol SMILES: CC(=C)C(C1=CC=CC=C1)O
| PubChem CID | 138211 |
|---|---|
| CAS | 4383-08-8 |
| Molecular Weight (g/mol) | 148.21 |
| MDL Number | MFCD00046630 |
| SMILES | CC(=C)C(C1=CC=CC=C1)O |
| Synonym | 2-methyl-1-phenyl-2-propen-1-ol,acmc-1bn9z,alpha-isopropenylbenzenemethanol,1-phenyl-2-methyl-2-propen-1-ol,2,6-dichloro-9-methyl-10h-purine |
| IUPAC Name | 2-methyl-1-phenylprop-2-en-1-ol |
| InChI Key | ZGYBYYJGIKPBFD-UHFFFAOYNA-N |
| Molecular Formula | C10H12O |
2-Fluoro-6-methoxybenzyl bromide, 98%
CAS: 500912-17-4 Molecular Formula: C8H8BrFO Molecular Weight (g/mol): 219.053 MDL Number: MFCD08688579 InChI Key: PVKFBCBTHHTDEX-UHFFFAOYSA-N Synonym: 2-fluoro-6-methoxybenzyl bromide,2-bromomethyl-1-fluoro-3-methoxybenzene,2-bromomethyl-3-fluoroanisole,2-fluoro-6-methoxy-benzyl bromide,2-bromomethyl-3-fluorophenyl methyl ether,benzene,2-bromomethyl-1-fluoro-3-methoxy,2-bromomethyl-1-fluoranyl-3-methoxy-benzene PubChem CID: 2779322 IUPAC Name: 2-(bromomethyl)-1-fluoro-3-methoxybenzene SMILES: COC1=C(C(=CC=C1)F)CBr
| PubChem CID | 2779322 |
|---|---|
| CAS | 500912-17-4 |
| Molecular Weight (g/mol) | 219.053 |
| MDL Number | MFCD08688579 |
| SMILES | COC1=C(C(=CC=C1)F)CBr |
| Synonym | 2-fluoro-6-methoxybenzyl bromide,2-bromomethyl-1-fluoro-3-methoxybenzene,2-bromomethyl-3-fluoroanisole,2-fluoro-6-methoxy-benzyl bromide,2-bromomethyl-3-fluorophenyl methyl ether,benzene,2-bromomethyl-1-fluoro-3-methoxy,2-bromomethyl-1-fluoranyl-3-methoxy-benzene |
| IUPAC Name | 2-(bromomethyl)-1-fluoro-3-methoxybenzene |
| InChI Key | PVKFBCBTHHTDEX-UHFFFAOYSA-N |
| Molecular Formula | C8H8BrFO |
2-Fluoro-4-(trifluoromethyl)benzeneboronic acid, 97%
CAS: 503309-11-3 Molecular Formula: C7H5BF4O2 Molecular Weight (g/mol): 207.919 MDL Number: MFCD03094995 InChI Key: SSFSVKVWAURAAM-UHFFFAOYSA-N Synonym: 2-fluoro-4-trifluoromethyl phenylboronic acid,2-fluoro-4-trifluoromethylphenylboronic acid,2-fluoro-4-trifluoromethyl benzeneboronic acid,2-fluoro-4-trifluoromethyl phenyl boronic acid,boronic acid, 2-fluoro-4-trifluoromethyl phenyl,pubchem1859,acmc-209klg,ksc269g4l,4-borono-3-fluorobenzotrifluoride PubChem CID: 16414145 IUPAC Name: [2-fluoro-4-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=C(C=C(C=C1)C(F)(F)F)F)(O)O
| PubChem CID | 16414145 |
|---|---|
| CAS | 503309-11-3 |
| Molecular Weight (g/mol) | 207.919 |
| MDL Number | MFCD03094995 |
| SMILES | B(C1=C(C=C(C=C1)C(F)(F)F)F)(O)O |
| Synonym | 2-fluoro-4-trifluoromethyl phenylboronic acid,2-fluoro-4-trifluoromethylphenylboronic acid,2-fluoro-4-trifluoromethyl benzeneboronic acid,2-fluoro-4-trifluoromethyl phenyl boronic acid,boronic acid, 2-fluoro-4-trifluoromethyl phenyl,pubchem1859,acmc-209klg,ksc269g4l,4-borono-3-fluorobenzotrifluoride |
| IUPAC Name | [2-fluoro-4-(trifluoromethyl)phenyl]boronic acid |
| InChI Key | SSFSVKVWAURAAM-UHFFFAOYSA-N |
| Molecular Formula | C7H5BF4O2 |
1-Bromo-4-n-propylbenzene, 99%
CAS: 588-93-2 Molecular Formula: C9H11Br Molecular Weight (g/mol): 199.091 MDL Number: MFCD00012456 InChI Key: NUPWGLKBGVNSJX-UHFFFAOYSA-N Synonym: 1-bromo-4-n-propylbenzene,4-bromo-n-propylbenzene,1-4'-bromophenyl propane,1-bromo-4-propyl-benzene,benzene, 1-bromo-4-propyl,4-propylbromobenzene,4-propyl bromobenzene,4-n-propylbromobenzene,4-propylphenyl bromide,pubchem10762 PubChem CID: 136374 IUPAC Name: 1-bromo-4-propylbenzene SMILES: CCCC1=CC=C(C=C1)Br
| PubChem CID | 136374 |
|---|---|
| CAS | 588-93-2 |
| Molecular Weight (g/mol) | 199.091 |
| MDL Number | MFCD00012456 |
| SMILES | CCCC1=CC=C(C=C1)Br |
| Synonym | 1-bromo-4-n-propylbenzene,4-bromo-n-propylbenzene,1-4'-bromophenyl propane,1-bromo-4-propyl-benzene,benzene, 1-bromo-4-propyl,4-propylbromobenzene,4-propyl bromobenzene,4-n-propylbromobenzene,4-propylphenyl bromide,pubchem10762 |
| IUPAC Name | 1-bromo-4-propylbenzene |
| InChI Key | NUPWGLKBGVNSJX-UHFFFAOYSA-N |
| Molecular Formula | C9H11Br |
3,5-Difluorobenzenesulfonamide, 98%
CAS: 140480-89-3 Molecular Formula: C6H5F2NO2S Molecular Weight (g/mol): 193.168 MDL Number: MFCD02091379 InChI Key: MKQPOVUFDWKPNO-UHFFFAOYSA-N Synonym: 3,5-difluorobenzenesulphonamide,3,5-difluorobenzene-1-sulfonamide,benzenesulfonamide, 3,5-difluoro,buttpark 27\07-04,fbu,pubchem11783,acmc-20ai3d,d0s6gk,ksc493s5p,3,5-difluorobenzenesulfonamide PubChem CID: 446275 ChEBI: CHEBI:42566 IUPAC Name: 3,5-difluorobenzenesulfonamide SMILES: C1=C(C=C(C=C1F)S(=O)(=O)N)F
| PubChem CID | 446275 |
|---|---|
| CAS | 140480-89-3 |
| Molecular Weight (g/mol) | 193.168 |
| ChEBI | CHEBI:42566 |
| MDL Number | MFCD02091379 |
| SMILES | C1=C(C=C(C=C1F)S(=O)(=O)N)F |
| Synonym | 3,5-difluorobenzenesulphonamide,3,5-difluorobenzene-1-sulfonamide,benzenesulfonamide, 3,5-difluoro,buttpark 27\07-04,fbu,pubchem11783,acmc-20ai3d,d0s6gk,ksc493s5p,3,5-difluorobenzenesulfonamide |
| IUPAC Name | 3,5-difluorobenzenesulfonamide |
| InChI Key | MKQPOVUFDWKPNO-UHFFFAOYSA-N |
| Molecular Formula | C6H5F2NO2S |
2-Amino-4-tert-butylphenol, 97%
CAS: 1199-46-8 Molecular Formula: C10H15NO Molecular Weight (g/mol): 165.24 MDL Number: MFCD00007698 InChI Key: RPJUVNYXHUCRMG-UHFFFAOYSA-N Synonym: 2-amino-4-tert-butyl phenol,2-amino-4-tert-butyl-phenol,2-amino-4-t-butylphenol,unii-28021lmq3d,phenol, 2-amino-4-1,1-dimethylethyl,p-tert-butyl-o-aminophenol,acmc-209a4q,4-tert-butyl-2-aminophenol,bidd:gt0022,2-azanyl-4-tert-butyl-phenol PubChem CID: 70982 IUPAC Name: 2-amino-4-tert-butylphenol SMILES: CC(C)(C)C1=CC=C(O)C(N)=C1
| PubChem CID | 70982 |
|---|---|
| CAS | 1199-46-8 |
| Molecular Weight (g/mol) | 165.24 |
| MDL Number | MFCD00007698 |
| SMILES | CC(C)(C)C1=CC=C(O)C(N)=C1 |
| Synonym | 2-amino-4-tert-butyl phenol,2-amino-4-tert-butyl-phenol,2-amino-4-t-butylphenol,unii-28021lmq3d,phenol, 2-amino-4-1,1-dimethylethyl,p-tert-butyl-o-aminophenol,acmc-209a4q,4-tert-butyl-2-aminophenol,bidd:gt0022,2-azanyl-4-tert-butyl-phenol |
| IUPAC Name | 2-amino-4-tert-butylphenol |
| InChI Key | RPJUVNYXHUCRMG-UHFFFAOYSA-N |
| Molecular Formula | C10H15NO |
2,5-Dichlorobenzotrifluoride, 98%
CAS: 320-50-3 Molecular Formula: C7H3Cl2F3 Molecular Weight (g/mol): 214.996 MDL Number: MFCD00000608 InChI Key: DYBYUWVMLBBEMA-UHFFFAOYSA-N Synonym: 2,5-dichlorobenzotrifluoride,1,4-dichloro-2-trifluoromethyl benzene,benzene, 1,4-dichloro-2-trifluoromethyl,2,5-dichloro-alpha,alpha,alpha-trifluorotoluene,2,5-dichloro-a,a,a-trifluorotoluene,toluene, 2,5-dichloro-alpha,alpha,alpha-trifluoro-6ci,7ci,8ci,pubchem3450,ksc925c7r,2,5-dichloro trifluoromethylbenzene PubChem CID: 35360 IUPAC Name: 1,4-dichloro-2-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1Cl)C(F)(F)F)Cl
| PubChem CID | 35360 |
|---|---|
| CAS | 320-50-3 |
| Molecular Weight (g/mol) | 214.996 |
| MDL Number | MFCD00000608 |
| SMILES | C1=CC(=C(C=C1Cl)C(F)(F)F)Cl |
| Synonym | 2,5-dichlorobenzotrifluoride,1,4-dichloro-2-trifluoromethyl benzene,benzene, 1,4-dichloro-2-trifluoromethyl,2,5-dichloro-alpha,alpha,alpha-trifluorotoluene,2,5-dichloro-a,a,a-trifluorotoluene,toluene, 2,5-dichloro-alpha,alpha,alpha-trifluoro-6ci,7ci,8ci,pubchem3450,ksc925c7r,2,5-dichloro trifluoromethylbenzene |
| IUPAC Name | 1,4-dichloro-2-(trifluoromethyl)benzene |
| InChI Key | DYBYUWVMLBBEMA-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl2F3 |
2-(3-Bromophenyl)propan-2-ol, 97%, Thermo Scientific™
CAS: 30951-66-7 Molecular Formula: C9H11BrO Molecular Weight (g/mol): 215.09 InChI Key: ZRFMJMFYMQAUDO-UHFFFAOYSA-N Synonym: 2-3-bromophenyl propan-2-ol,2-3-bromophenyl-2-propanol,acmc-209hjh,2-3-bromophenyl-propan-2-ol,2-3-bromo-phenyl-propan-2-ol,3-alpha-hydroxyisopropyl-1-bromobenzene PubChem CID: 15072383 IUPAC Name: 2-(3-bromophenyl)propan-2-ol SMILES: CC(C)(C1=CC(=CC=C1)Br)O
| PubChem CID | 15072383 |
|---|---|
| CAS | 30951-66-7 |
| Molecular Weight (g/mol) | 215.09 |
| SMILES | CC(C)(C1=CC(=CC=C1)Br)O |
| Synonym | 2-3-bromophenyl propan-2-ol,2-3-bromophenyl-2-propanol,acmc-209hjh,2-3-bromophenyl-propan-2-ol,2-3-bromo-phenyl-propan-2-ol,3-alpha-hydroxyisopropyl-1-bromobenzene |
| IUPAC Name | 2-(3-bromophenyl)propan-2-ol |
| InChI Key | ZRFMJMFYMQAUDO-UHFFFAOYSA-N |
| Molecular Formula | C9H11BrO |