Benzene and substituted derivatives
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4-Hydroxyphenylacetamide, 99%
CAS: 17194-82-0 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00017145 InChI Key: YBPAYPRLUDCSEY-UHFFFAOYSA-N Synonym: 4-hydroxyphenylacetamide,2-4-hydroxyphenyl acetamide,p-hydroxyphenylacetamide,4-hydroxybenzeneacetamide,benzeneacetamide, 4-hydroxy,p-carbamoylmethyl phenol,p-hydroxyphenyl acetamide,2-p-hydroxyphenyl acetamide,4-hydroxyphenyl acetamide,unii-0hy0n4itn4 PubChem CID: 86986 IUPAC Name: 2-(4-hydroxyphenyl)acetamide SMILES: C1=CC(=CC=C1CC(=O)N)O
| PubChem CID | 86986 |
|---|---|
| CAS | 17194-82-0 |
| Molecular Weight (g/mol) | 151.165 |
| MDL Number | MFCD00017145 |
| SMILES | C1=CC(=CC=C1CC(=O)N)O |
| Synonym | 4-hydroxyphenylacetamide,2-4-hydroxyphenyl acetamide,p-hydroxyphenylacetamide,4-hydroxybenzeneacetamide,benzeneacetamide, 4-hydroxy,p-carbamoylmethyl phenol,p-hydroxyphenyl acetamide,2-p-hydroxyphenyl acetamide,4-hydroxyphenyl acetamide,unii-0hy0n4itn4 |
| IUPAC Name | 2-(4-hydroxyphenyl)acetamide |
| InChI Key | YBPAYPRLUDCSEY-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
4-Aminophthalic acid, 98%
CAS: 5434-21-9 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00013985 InChI Key: OXSANYRLJHSQEP-UHFFFAOYSA-N Synonym: 4-aminobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-amino,4-amino-1,2-benzenedicarboxylic acid,4-amino phthalic acid,contains 3-aminophthalic acid,pubchem16853,acmc-1arqu,4-aminophthalic acid,ksc270i4n,ghl.pd_mitscher_leg0.1208 PubChem CID: 72912 IUPAC Name: 4-aminophthalic acid SMILES: C1=CC(=C(C=C1N)C(=O)O)C(=O)O
| PubChem CID | 72912 |
|---|---|
| CAS | 5434-21-9 |
| Molecular Weight (g/mol) | 181.147 |
| MDL Number | MFCD00013985 |
| SMILES | C1=CC(=C(C=C1N)C(=O)O)C(=O)O |
| Synonym | 4-aminobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-amino,4-amino-1,2-benzenedicarboxylic acid,4-amino phthalic acid,contains 3-aminophthalic acid,pubchem16853,acmc-1arqu,4-aminophthalic acid,ksc270i4n,ghl.pd_mitscher_leg0.1208 |
| IUPAC Name | 4-aminophthalic acid |
| InChI Key | OXSANYRLJHSQEP-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |
5-Fluorosalicylic acid, 97%
CAS: 345-16-4 Molecular Formula: C7H5FO3 Molecular Weight (g/mol): 156.112 MDL Number: MFCD00002456 InChI Key: JWPRICQKUNODPZ-UHFFFAOYSA-N Synonym: 5-fluorosalicylic acid,2-hydroxy-5-fluorobenzoic acid,benzoic acid, 5-fluoro-2-hydroxy,5-fluoro-2-hydroxybenzoicacid,5-fluoro-2-hydroxy-benzoic acid,5fluorosalicylic acid,pubchem1382,5-fluoro-salicylic acid,2-carboxy-4-fluorophenol PubChem CID: 67658 IUPAC Name: 5-fluoro-2-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1F)C(=O)O)O
| PubChem CID | 67658 |
|---|---|
| CAS | 345-16-4 |
| Molecular Weight (g/mol) | 156.112 |
| MDL Number | MFCD00002456 |
| SMILES | C1=CC(=C(C=C1F)C(=O)O)O |
| Synonym | 5-fluorosalicylic acid,2-hydroxy-5-fluorobenzoic acid,benzoic acid, 5-fluoro-2-hydroxy,5-fluoro-2-hydroxybenzoicacid,5-fluoro-2-hydroxy-benzoic acid,5fluorosalicylic acid,pubchem1382,5-fluoro-salicylic acid,2-carboxy-4-fluorophenol |
| IUPAC Name | 5-fluoro-2-hydroxybenzoic acid |
| InChI Key | JWPRICQKUNODPZ-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO3 |
2-Bromophenylhydrazine hydrochloride, 94%
CAS: 50709-33-6 Molecular Formula: C6H8BrClN2 Molecular Weight (g/mol): 223.498 MDL Number: MFCD00012926 InChI Key: PHCYUJRYSFMJMG-UHFFFAOYSA-N Synonym: 2-bromophenylhydrazine hydrochloride,2-bromophenyl hydrazine hydrochloride,2-bromophenylhydrazine hcl,hydrazine, 2-bromophenyl-, monohydrochloride,1-2-bromophenyl hydrazine hydrochloride,1-bromo-2-hydrazino benzene hydrochloride,pubchem4463,acmc-1b1zz,ksc270g5h,2-bromophenylhydrazine, chloride PubChem CID: 2723912 IUPAC Name: (2-bromophenyl)hydrazine;hydrochloride SMILES: C1=CC=C(C(=C1)NN)Br.Cl
| PubChem CID | 2723912 |
|---|---|
| CAS | 50709-33-6 |
| Molecular Weight (g/mol) | 223.498 |
| MDL Number | MFCD00012926 |
| SMILES | C1=CC=C(C(=C1)NN)Br.Cl |
| Synonym | 2-bromophenylhydrazine hydrochloride,2-bromophenyl hydrazine hydrochloride,2-bromophenylhydrazine hcl,hydrazine, 2-bromophenyl-, monohydrochloride,1-2-bromophenyl hydrazine hydrochloride,1-bromo-2-hydrazino benzene hydrochloride,pubchem4463,acmc-1b1zz,ksc270g5h,2-bromophenylhydrazine, chloride |
| IUPAC Name | (2-bromophenyl)hydrazine;hydrochloride |
| InChI Key | PHCYUJRYSFMJMG-UHFFFAOYSA-N |
| Molecular Formula | C6H8BrClN2 |
3-Iodobenzeneboronic acid, 97%
CAS: 221037-98-5 Molecular Formula: C6H6BIO2 Molecular Weight (g/mol): 247.826 MDL Number: MFCD01319015 InChI Key: REEUXWXIMNEIIN-UHFFFAOYSA-N Synonym: 3-iodophenyl boronic acid,boronic acid, 3-iodophenyl,3-iodobenzeneboronic acid,pentanedioic acid 1-1r,2s,5r-5-methyl-2-1-methylethyl cyclohexyl ester,pubchem6224,acmc-1ckkp,3-iodophenylboranic acid,amtb078,3-iodanylphenyl boronic acid,boronic acid,b-3-iodophenyl PubChem CID: 2734362 IUPAC Name: (3-iodophenyl)boronic acid SMILES: B(C1=CC(=CC=C1)I)(O)O
| PubChem CID | 2734362 |
|---|---|
| CAS | 221037-98-5 |
| Molecular Weight (g/mol) | 247.826 |
| MDL Number | MFCD01319015 |
| SMILES | B(C1=CC(=CC=C1)I)(O)O |
| Synonym | 3-iodophenyl boronic acid,boronic acid, 3-iodophenyl,3-iodobenzeneboronic acid,pentanedioic acid 1-1r,2s,5r-5-methyl-2-1-methylethyl cyclohexyl ester,pubchem6224,acmc-1ckkp,3-iodophenylboranic acid,amtb078,3-iodanylphenyl boronic acid,boronic acid,b-3-iodophenyl |
| IUPAC Name | (3-iodophenyl)boronic acid |
| InChI Key | REEUXWXIMNEIIN-UHFFFAOYSA-N |
| Molecular Formula | C6H6BIO2 |
3,5-Difluorophenylmagnesium bromide, 0.50M in 2-MeTHF
CAS: 62351-47-7 Molecular Formula: C6H3BrF2Mg Molecular Weight (g/mol): 217.30 MDL Number: MFCD00672005 InChI Key: CURGXPMIRCWEDB-UHFFFAOYSA-M Synonym: 3,5-difluorophenylmagnesium bromide,bromo 3,5-difluorophenyl magnesium,3,5-difluorophenylmagnesiumbromide,curgxpmircwedb-uhfffaoysa-m,3,5-difluorophenyl magnesium bromide,3,5-difluorophenylmagnesium bromide, 0.50m in 2-methf,3,5-difluorophenylmagnesium bromide 0.5 m in tetrahydrofuran,3,5-difluorophenylmagnesium bromide solution, 0.5 m in thf,grignard reagent PubChem CID: 2778376 IUPAC Name: magnesium;1,3-difluorobenzene-5-ide;bromide SMILES: FC1=CC([Mg]Br)=CC(F)=C1
| PubChem CID | 2778376 |
|---|---|
| CAS | 62351-47-7 |
| Molecular Weight (g/mol) | 217.30 |
| MDL Number | MFCD00672005 |
| SMILES | FC1=CC([Mg]Br)=CC(F)=C1 |
| Synonym | 3,5-difluorophenylmagnesium bromide,bromo 3,5-difluorophenyl magnesium,3,5-difluorophenylmagnesiumbromide,curgxpmircwedb-uhfffaoysa-m,3,5-difluorophenyl magnesium bromide,3,5-difluorophenylmagnesium bromide, 0.50m in 2-methf,3,5-difluorophenylmagnesium bromide 0.5 m in tetrahydrofuran,3,5-difluorophenylmagnesium bromide solution, 0.5 m in thf,grignard reagent |
| IUPAC Name | magnesium;1,3-difluorobenzene-5-ide;bromide |
| InChI Key | CURGXPMIRCWEDB-UHFFFAOYSA-M |
| Molecular Formula | C6H3BrF2Mg |
Selectophore™ Dipentyl phthalate, 99.0%, MilliporeSigma™ Supelco™
CAS: 131-18-0 Molecular Formula: C18H26O4 Molecular Weight (g/mol): 306.40 MDL Number: MFCD00041934 InChI Key: IPKKHRVROFYTEK-UHFFFAOYSA-N IUPAC Name: 1,2-dipentyl benzene-1,2-dicarboxylate SMILES: CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC
| CAS | 131-18-0 |
|---|---|
| Molecular Weight (g/mol) | 306.40 |
| MDL Number | MFCD00041934 |
| SMILES | CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC |
| IUPAC Name | 1,2-dipentyl benzene-1,2-dicarboxylate |
| InChI Key | IPKKHRVROFYTEK-UHFFFAOYSA-N |
| Molecular Formula | C18H26O4 |
4-(Trifluoromethyl)phenylacetylene, 97%
CAS: 705-31-7 Molecular Formula: C9H5F3 Molecular Weight (g/mol): 170.13 MDL Number: MFCD01861903 InChI Key: XTKBMZQCDBHHKY-UHFFFAOYSA-N Synonym: 1-ethynyl-4-trifluoromethyl benzene,4'-trifluoromethylphenyl acetylene,4-trifluoromethyl phenylacetylene,4-ethynyl-alpha,alpha,alpha-trifluorotoluene,4-ethynylbenzotrifluoride,4-ethynyl-a,a,a-trifluorotoluene,4-ethynyl trifluorotoluene,benzene, 1-ethynyl-4-trifluoromethyl,1-ethynyl-4-trifluoromethyl-benzene,4-ethynyl-1-trifluoromethyl benzene PubChem CID: 4348295 IUPAC Name: 1-ethynyl-4-(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC=C(C=C1)C#C
| PubChem CID | 4348295 |
|---|---|
| CAS | 705-31-7 |
| Molecular Weight (g/mol) | 170.13 |
| MDL Number | MFCD01861903 |
| SMILES | FC(F)(F)C1=CC=C(C=C1)C#C |
| Synonym | 1-ethynyl-4-trifluoromethyl benzene,4'-trifluoromethylphenyl acetylene,4-trifluoromethyl phenylacetylene,4-ethynyl-alpha,alpha,alpha-trifluorotoluene,4-ethynylbenzotrifluoride,4-ethynyl-a,a,a-trifluorotoluene,4-ethynyl trifluorotoluene,benzene, 1-ethynyl-4-trifluoromethyl,1-ethynyl-4-trifluoromethyl-benzene,4-ethynyl-1-trifluoromethyl benzene |
| IUPAC Name | 1-ethynyl-4-(trifluoromethyl)benzene |
| InChI Key | XTKBMZQCDBHHKY-UHFFFAOYSA-N |
| Molecular Formula | C9H5F3 |
4-Acetamidobenzenesulfonyl azide, 97%
CAS: 2158-14-7 Molecular Formula: C8H8N4O3S Molecular Weight (g/mol): 240.24 MDL Number: MFCD00029626 InChI Key: NTMHWRHEGDRTPD-UHFFFAOYSA-N Synonym: 4-acetamidobenzenesulfonyl azide,p-absa,n-4-azidosulfonylphenyl acetamide,4-acetamidobenzenesulfonylazide,4-acetamidobenzenesulphonyl azide,4-acetamidobenzene sulfonyl azide,4-acetamidobenzene-1-sulfonyl azide,acmc-1chyo,ksc491c8r,p-acetamidobenzensulfonyl azide PubChem CID: 5129185 IUPAC Name: N-(4-azidosulfonylphenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=[N+]=[N-]
| PubChem CID | 5129185 |
|---|---|
| CAS | 2158-14-7 |
| Molecular Weight (g/mol) | 240.24 |
| MDL Number | MFCD00029626 |
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=[N+]=[N-] |
| Synonym | 4-acetamidobenzenesulfonyl azide,p-absa,n-4-azidosulfonylphenyl acetamide,4-acetamidobenzenesulfonylazide,4-acetamidobenzenesulphonyl azide,4-acetamidobenzene sulfonyl azide,4-acetamidobenzene-1-sulfonyl azide,acmc-1chyo,ksc491c8r,p-acetamidobenzensulfonyl azide |
| IUPAC Name | N-(4-azidosulfonylphenyl)acetamide |
| InChI Key | NTMHWRHEGDRTPD-UHFFFAOYSA-N |
| Molecular Formula | C8H8N4O3S |
2-Methoxy-4-methylbenzenesulfonamide, 95%
CAS: 59554-39-1 Molecular Formula: C8H11NO3S Molecular Weight (g/mol): 201.24 MDL Number: MFCD01318156 InChI Key: GQUFSEOISDLWMN-UHFFFAOYSA-N Synonym: 2-methoxy-4-methyl-benzenesulfonamide,2-methoxy-4-methylbenzene-1-sulfonamide,acmc-20ans2,3-methoxy-p-toluenesulfonamide,benzenesulfonamide,2-methoxy-4-methyl,2-methoxy-4-methyl-1-benzenesulfonamide PubChem CID: 5093369 IUPAC Name: 2-methoxy-4-methylbenzenesulfonamide SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N)OC
| PubChem CID | 5093369 |
|---|---|
| CAS | 59554-39-1 |
| Molecular Weight (g/mol) | 201.24 |
| MDL Number | MFCD01318156 |
| SMILES | CC1=CC(=C(C=C1)S(=O)(=O)N)OC |
| Synonym | 2-methoxy-4-methyl-benzenesulfonamide,2-methoxy-4-methylbenzene-1-sulfonamide,acmc-20ans2,3-methoxy-p-toluenesulfonamide,benzenesulfonamide,2-methoxy-4-methyl,2-methoxy-4-methyl-1-benzenesulfonamide |
| IUPAC Name | 2-methoxy-4-methylbenzenesulfonamide |
| InChI Key | GQUFSEOISDLWMN-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO3S |
Cumene Hydroperoxide, 77%, Spectrum™ Chemical
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CAS: 80-15-9 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00002129 InChI Key: YQHLDYVWEZKEOX-UHFFFAOYSA-N IUPAC Name: 2-phenylpropane-2-peroxol SMILES: CC(C)(OO)C1=CC=CC=C1
| CAS | 80-15-9 |
|---|---|
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00002129 |
| SMILES | CC(C)(OO)C1=CC=CC=C1 |
| IUPAC Name | 2-phenylpropane-2-peroxol |
| InChI Key | YQHLDYVWEZKEOX-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
1,3-Difluorobenzene, 99%
CAS: 372-18-9 Molecular Formula: C6H4F2 Molecular Weight (g/mol): 114.10 MDL Number: MFCD00000327 InChI Key: UEMGWPRHOOEKTA-UHFFFAOYSA-N Synonym: m-difluorobenzene,benzene, 1,3-difluoro,benzene, m-difluoro,2,4-difluorobenzene,meta-difluorobenzene,1,3-difluoro benzene,unii-vo3c26woc2,1,3-difluorbenzol,vo3c26woc2,1,3difluorobenzene PubChem CID: 9741 ChEBI: CHEBI:38584 IUPAC Name: 1,3-difluorobenzene SMILES: FC1=CC(F)=CC=C1
| PubChem CID | 9741 |
|---|---|
| CAS | 372-18-9 |
| Molecular Weight (g/mol) | 114.10 |
| ChEBI | CHEBI:38584 |
| MDL Number | MFCD00000327 |
| SMILES | FC1=CC(F)=CC=C1 |
| Synonym | m-difluorobenzene,benzene, 1,3-difluoro,benzene, m-difluoro,2,4-difluorobenzene,meta-difluorobenzene,1,3-difluoro benzene,unii-vo3c26woc2,1,3-difluorbenzol,vo3c26woc2,1,3difluorobenzene |
| IUPAC Name | 1,3-difluorobenzene |
| InChI Key | UEMGWPRHOOEKTA-UHFFFAOYSA-N |
| Molecular Formula | C6H4F2 |
2-(4-Bromophenyl)ethanol, 98%
CAS: 4654-39-1 Molecular Formula: C8H9BrO Molecular Weight (g/mol): 201.063 MDL Number: MFCD00002897 InChI Key: PMOSJSPFNDUAFY-UHFFFAOYSA-N Synonym: 2-4-bromophenyl ethanol,4-bromophenethyl alcohol,p-bromophenethyl alcohol,benzeneethanol, 4-bromo,2-4-bromophenyl ethan-1-ol,2-4-bromo-phenyl-ethanol,2-4-bromophenyl ethyl alcohol,2-p-bromophenyl ethanol,phenethyl alcohol, p-bromo,4-bromobenzene ethanol PubChem CID: 72851 IUPAC Name: 2-(4-bromophenyl)ethanol SMILES: C1=CC(=CC=C1CCO)Br
| PubChem CID | 72851 |
|---|---|
| CAS | 4654-39-1 |
| Molecular Weight (g/mol) | 201.063 |
| MDL Number | MFCD00002897 |
| SMILES | C1=CC(=CC=C1CCO)Br |
| Synonym | 2-4-bromophenyl ethanol,4-bromophenethyl alcohol,p-bromophenethyl alcohol,benzeneethanol, 4-bromo,2-4-bromophenyl ethan-1-ol,2-4-bromo-phenyl-ethanol,2-4-bromophenyl ethyl alcohol,2-p-bromophenyl ethanol,phenethyl alcohol, p-bromo,4-bromobenzene ethanol |
| IUPAC Name | 2-(4-bromophenyl)ethanol |
| InChI Key | PMOSJSPFNDUAFY-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrO |
4-Fluorostyrene, 97+%, stab. with 0.1% 4-tert-butylcatechol
CAS: 405-99-2 Molecular Formula: C8H7F Molecular Weight (g/mol): 122.142 MDL Number: MFCD00000361 InChI Key: JWVTWJNGILGLAT-UHFFFAOYSA-N Synonym: 4-fluorostyrene,1-fluoro-4-vinylbenzene,p-fluorostyrene,benzene, 1-ethenyl-4-fluoro,styrene, p-fluoro,para-fluorostyrene,1-fluoro-4-vinyl-benzene,4-fluoro-styrene,acmc-1cszp PubChem CID: 67883 IUPAC Name: 1-ethenyl-4-fluorobenzene SMILES: C=CC1=CC=C(C=C1)F
| PubChem CID | 67883 |
|---|---|
| CAS | 405-99-2 |
| Molecular Weight (g/mol) | 122.142 |
| MDL Number | MFCD00000361 |
| SMILES | C=CC1=CC=C(C=C1)F |
| Synonym | 4-fluorostyrene,1-fluoro-4-vinylbenzene,p-fluorostyrene,benzene, 1-ethenyl-4-fluoro,styrene, p-fluoro,para-fluorostyrene,1-fluoro-4-vinyl-benzene,4-fluoro-styrene,acmc-1cszp |
| IUPAC Name | 1-ethenyl-4-fluorobenzene |
| InChI Key | JWVTWJNGILGLAT-UHFFFAOYSA-N |
| Molecular Formula | C8H7F |
4,4'-Dibromobiphenyl, 98+%
CAS: 92-86-4 Molecular Formula: C12H8Br2 Molecular Weight (g/mol): 312.00 MDL Number: MFCD00000101 InChI Key: HQJQYILBCQPYBI-UHFFFAOYSA-N Synonym: 4,4'-dibromobiphenyl,1,1'-biphenyl, 4,4'-dibromo,p,p'-dibromobiphenyl,4,4'-dibromodiphenyl,1-bromo-4-4-bromophenyl benzene,4,4'-dibromo-biphenyl,unii-pou26v2xt2,4',4-dibromobiphenyl,biphenyl, 4,4'-dibromo,pou26v2xt2 PubChem CID: 7110 IUPAC Name: 1-bromo-4-(4-bromophenyl)benzene SMILES: BrC1=CC=C(C=C1)C1=CC=C(Br)C=C1
| PubChem CID | 7110 |
|---|---|
| CAS | 92-86-4 |
| Molecular Weight (g/mol) | 312.00 |
| MDL Number | MFCD00000101 |
| SMILES | BrC1=CC=C(C=C1)C1=CC=C(Br)C=C1 |
| Synonym | 4,4'-dibromobiphenyl,1,1'-biphenyl, 4,4'-dibromo,p,p'-dibromobiphenyl,4,4'-dibromodiphenyl,1-bromo-4-4-bromophenyl benzene,4,4'-dibromo-biphenyl,unii-pou26v2xt2,4',4-dibromobiphenyl,biphenyl, 4,4'-dibromo,pou26v2xt2 |
| IUPAC Name | 1-bromo-4-(4-bromophenyl)benzene |
| InChI Key | HQJQYILBCQPYBI-UHFFFAOYSA-N |
| Molecular Formula | C12H8Br2 |