Benzene and substituted derivatives
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alpha,alpha-Dimethylbenzylamine, 96%
CAS: 585-32-0 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00134680 InChI Key: KDFDOINBXBEOLZ-UHFFFAOYSA-N Synonym: cumylamine,alpha,alpha-dimethylbenzylamine,1-methyl-1-phenyl-ethylamine,1-methyl-1-phenylethylamine,2-phenyl-2-propanamine,alpha-aminoisopropylbenzene,benzenemethanamine, alpha,alpha-dimethyl,dimethyl-aminophenylmethane,cumyl amine,phenisopropyl amine PubChem CID: 68509 IUPAC Name: 2-phenylpropan-2-amine SMILES: CC(C)(N)C1=CC=CC=C1
| PubChem CID | 68509 |
|---|---|
| CAS | 585-32-0 |
| Molecular Weight (g/mol) | 135.21 |
| MDL Number | MFCD00134680 |
| SMILES | CC(C)(N)C1=CC=CC=C1 |
| Synonym | cumylamine,alpha,alpha-dimethylbenzylamine,1-methyl-1-phenyl-ethylamine,1-methyl-1-phenylethylamine,2-phenyl-2-propanamine,alpha-aminoisopropylbenzene,benzenemethanamine, alpha,alpha-dimethyl,dimethyl-aminophenylmethane,cumyl amine,phenisopropyl amine |
| IUPAC Name | 2-phenylpropan-2-amine |
| InChI Key | KDFDOINBXBEOLZ-UHFFFAOYSA-N |
| Molecular Formula | C9H13N |
1-(4-Iodophenyl)-1H-pyrazole, ≥95%, Thermo Scientific™
CAS: 368869-86-7 Molecular Formula: C9H7IN2 Molecular Weight (g/mol): 270.07 MDL Number: MFCD02681941 InChI Key: ADIQBEMLKKKISJ-UHFFFAOYSA-N PubChem CID: 2776481 IUPAC Name: 1-(4-iodophenyl)pyrazole SMILES: IC1=CC=C(C=C1)N1C=CC=N1
| PubChem CID | 2776481 |
|---|---|
| CAS | 368869-86-7 |
| Molecular Weight (g/mol) | 270.07 |
| MDL Number | MFCD02681941 |
| SMILES | IC1=CC=C(C=C1)N1C=CC=N1 |
| IUPAC Name | 1-(4-iodophenyl)pyrazole |
| InChI Key | ADIQBEMLKKKISJ-UHFFFAOYSA-N |
| Molecular Formula | C9H7IN2 |
2,6-Difluorophenylacetone, 98%, Thermo Scientific Chemicals
CAS: 101712-20-3 Molecular Formula: C9H8F2O Molecular Weight (g/mol): 170.16 InChI Key: LAWHOFKPDMZDLJ-UHFFFAOYSA-N Synonym: 1-2,6-difluorophenyl propan-2-one,2-propanone, 1-2,6-difluorophenyl,2,6-difluorophenylacetone PubChem CID: 2734927 IUPAC Name: 1-(2,6-difluorophenyl)propan-2-one SMILES: CC(=O)CC1=C(C=CC=C1F)F
| PubChem CID | 2734927 |
|---|---|
| CAS | 101712-20-3 |
| Molecular Weight (g/mol) | 170.16 |
| SMILES | CC(=O)CC1=C(C=CC=C1F)F |
| Synonym | 1-2,6-difluorophenyl propan-2-one,2-propanone, 1-2,6-difluorophenyl,2,6-difluorophenylacetone |
| IUPAC Name | 1-(2,6-difluorophenyl)propan-2-one |
| InChI Key | LAWHOFKPDMZDLJ-UHFFFAOYSA-N |
| Molecular Formula | C9H8F2O |
2-Methylstyrene, 98%, stab. with 0.1% 4-tert-butylcatechol
CAS: 611-15-4 Molecular Formula: C9H10 Molecular Weight (g/mol): 118.179 MDL Number: MFCD00014936 InChI Key: NVZWEEGUWXZOKI-UHFFFAOYSA-N Synonym: 2-methylstyrene,2-vinyltoluene,o-vinyltoluene,o-methylstyrene,styrene, o-methyl,1-methyl-2-vinylbenzene,benzene, 1-ethenyl-2-methyl,ortho-methylstyrene,unii-556uo5cl44,1-ethenyl-2-methyl-benzene PubChem CID: 11904 IUPAC Name: 1-ethenyl-2-methylbenzene SMILES: CC1=CC=CC=C1C=C
| PubChem CID | 11904 |
|---|---|
| CAS | 611-15-4 |
| Molecular Weight (g/mol) | 118.179 |
| MDL Number | MFCD00014936 |
| SMILES | CC1=CC=CC=C1C=C |
| Synonym | 2-methylstyrene,2-vinyltoluene,o-vinyltoluene,o-methylstyrene,styrene, o-methyl,1-methyl-2-vinylbenzene,benzene, 1-ethenyl-2-methyl,ortho-methylstyrene,unii-556uo5cl44,1-ethenyl-2-methyl-benzene |
| IUPAC Name | 1-ethenyl-2-methylbenzene |
| InChI Key | NVZWEEGUWXZOKI-UHFFFAOYSA-N |
| Molecular Formula | C9H10 |
4-Bromomethyl-2'-fluorobiphenyl, 97%
CAS: 193013-76-2 Molecular Formula: C13H10BrF Molecular Weight (g/mol): 265.125 MDL Number: MFCD15146811 InChI Key: SAUALJYDYRRWPW-UHFFFAOYSA-N Synonym: 4'-bromomethyl-2-fluoro-1,1'-biphenyl,4-bromomethyl-2'-fluorobiphenyl,2-fluoro-4'-bromomethylbiphenyl PubChem CID: 18680932 IUPAC Name: 1-(bromomethyl)-4-(2-fluorophenyl)benzene SMILES: C1=CC=C(C(=C1)C2=CC=C(C=C2)CBr)F
| PubChem CID | 18680932 |
|---|---|
| CAS | 193013-76-2 |
| Molecular Weight (g/mol) | 265.125 |
| MDL Number | MFCD15146811 |
| SMILES | C1=CC=C(C(=C1)C2=CC=C(C=C2)CBr)F |
| Synonym | 4'-bromomethyl-2-fluoro-1,1'-biphenyl,4-bromomethyl-2'-fluorobiphenyl,2-fluoro-4'-bromomethylbiphenyl |
| IUPAC Name | 1-(bromomethyl)-4-(2-fluorophenyl)benzene |
| InChI Key | SAUALJYDYRRWPW-UHFFFAOYSA-N |
| Molecular Formula | C13H10BrF |
3-Nitrobenzylamine hydrochloride, 97%
CAS: 26177-43-5 Molecular Formula: C7H8N2O2·HCl Molecular Weight (g/mol): 188.62 MDL Number: MFCD00012858 InChI Key: DLZXLCHQWOZGSE-UHFFFAOYSA-N Synonym: 3-nitrobenzylamine hydrochloride,3-nitrophenyl methanamine hydrochloride,3-nitrobenzylamine hcl,3-nitrobenzylammonium hydrochloride,benzenemethanamine, 3-nitro-, monohydrochloride,1-3-nitrophenyl methanamine hydrochloride,pubchem7485,chembl13978,m-nitrobenzylamine hydrochloride,3-nitrobenzyl amine hydrochloride PubChem CID: 2724030 IUPAC Name: (3-nitrophenyl)methanamine;hydrochloride SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CN.Cl
| PubChem CID | 2724030 |
|---|---|
| CAS | 26177-43-5 |
| Molecular Weight (g/mol) | 188.62 |
| MDL Number | MFCD00012858 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CN.Cl |
| Synonym | 3-nitrobenzylamine hydrochloride,3-nitrophenyl methanamine hydrochloride,3-nitrobenzylamine hcl,3-nitrobenzylammonium hydrochloride,benzenemethanamine, 3-nitro-, monohydrochloride,1-3-nitrophenyl methanamine hydrochloride,pubchem7485,chembl13978,m-nitrobenzylamine hydrochloride,3-nitrobenzyl amine hydrochloride |
| IUPAC Name | (3-nitrophenyl)methanamine;hydrochloride |
| InChI Key | DLZXLCHQWOZGSE-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2·HCl |
4-Chloro-3-nitrobenzyl alcohol, 98%
CAS: 55912-20-4 Molecular Formula: C7H6ClNO3 Molecular Weight (g/mol): 187.579 MDL Number: MFCD00007086 InChI Key: QLLRQJDSYJIXTN-UHFFFAOYSA-N Synonym: 4-chloro-3-nitrobenzyl alcohol,4-chloro-3-nitrophenyl methanol,4-chloro-3-nitrobenzylalcohol,4-chloro-3-nitrobenzenemethanol,3-nitro-4-chlorobenzyl alcohol,acmc-1ayo8,qllrqjdsyjixtn-uhfffaoysa,benzenemethanol,4-chloro-3-nitro,benzenemethanol, 4-chloro-3-nitro,4-chloro-3-nitro-phenyl-methanol PubChem CID: 91933 IUPAC Name: (4-chloro-3-nitrophenyl)methanol SMILES: C1=CC(=C(C=C1CO)[N+](=O)[O-])Cl
| PubChem CID | 91933 |
|---|---|
| CAS | 55912-20-4 |
| Molecular Weight (g/mol) | 187.579 |
| MDL Number | MFCD00007086 |
| SMILES | C1=CC(=C(C=C1CO)[N+](=O)[O-])Cl |
| Synonym | 4-chloro-3-nitrobenzyl alcohol,4-chloro-3-nitrophenyl methanol,4-chloro-3-nitrobenzylalcohol,4-chloro-3-nitrobenzenemethanol,3-nitro-4-chlorobenzyl alcohol,acmc-1ayo8,qllrqjdsyjixtn-uhfffaoysa,benzenemethanol,4-chloro-3-nitro,benzenemethanol, 4-chloro-3-nitro,4-chloro-3-nitro-phenyl-methanol |
| IUPAC Name | (4-chloro-3-nitrophenyl)methanol |
| InChI Key | QLLRQJDSYJIXTN-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO3 |
2'-Methylacetanilide, 98+%
CAS: 120-66-1 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.193 MDL Number: MFCD00014961 InChI Key: BPEXTIMJLDWDTL-UHFFFAOYSA-N Synonym: o-acetotoluidide,2'-methylacetanilide,n-o-tolyl acetamide,n-2-methylphenyl acetamide,acetyl-o-toluidine,n-acetyl-o-toluidine,o-acetotoluide,acetamide, n-2-methylphenyl,o-methylacetanilide,n-o-tolylacetamide PubChem CID: 8443 IUPAC Name: N-(2-methylphenyl)acetamide SMILES: CC1=CC=CC=C1NC(=O)C
| PubChem CID | 8443 |
|---|---|
| CAS | 120-66-1 |
| Molecular Weight (g/mol) | 149.193 |
| MDL Number | MFCD00014961 |
| SMILES | CC1=CC=CC=C1NC(=O)C |
| Synonym | o-acetotoluidide,2'-methylacetanilide,n-o-tolyl acetamide,n-2-methylphenyl acetamide,acetyl-o-toluidine,n-acetyl-o-toluidine,o-acetotoluide,acetamide, n-2-methylphenyl,o-methylacetanilide,n-o-tolylacetamide |
| IUPAC Name | N-(2-methylphenyl)acetamide |
| InChI Key | BPEXTIMJLDWDTL-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
4-Fluoro-3-methylphenylboronic acid, 98%
CAS: 139911-27-6 Molecular Formula: C7H8BFO2 Molecular Weight (g/mol): 153.95 MDL Number: MFCD01863527 InChI Key: JCIJCHSRVPSOML-UHFFFAOYSA-N Synonym: 3-methyl-4-fluorophenylboronic acid,4-fluoro-3-methylphenyl boronic acid,4-fluoro-3-methylbenzeneboronic acid,4-fluoro-m-tolylboronic acid,4-fluoro-3-methylphenylboronicacid,5-borono-2-fluorotoluene,boronic acid, 4-fluoro-3-methylphenyl,pubchem5146,acmc-209cjo PubChem CID: 2774580 IUPAC Name: (4-fluoro-3-methylphenyl)boronic acid SMILES: CC1=CC(=CC=C1F)B(O)O
| PubChem CID | 2774580 |
|---|---|
| CAS | 139911-27-6 |
| Molecular Weight (g/mol) | 153.95 |
| MDL Number | MFCD01863527 |
| SMILES | CC1=CC(=CC=C1F)B(O)O |
| Synonym | 3-methyl-4-fluorophenylboronic acid,4-fluoro-3-methylphenyl boronic acid,4-fluoro-3-methylbenzeneboronic acid,4-fluoro-m-tolylboronic acid,4-fluoro-3-methylphenylboronicacid,5-borono-2-fluorotoluene,boronic acid, 4-fluoro-3-methylphenyl,pubchem5146,acmc-209cjo |
| IUPAC Name | (4-fluoro-3-methylphenyl)boronic acid |
| InChI Key | JCIJCHSRVPSOML-UHFFFAOYSA-N |
| Molecular Formula | C7H8BFO2 |
1-Bromo-4-chloro-2-nitrobenzene, 98%
CAS: 41513-04-6 Molecular Formula: C6H3BrClNO2 Molecular Weight (g/mol): 236.449 MDL Number: MFCD00024320 InChI Key: UKTIMFAJRPSNGR-UHFFFAOYSA-N Synonym: 2-bromo-5-chloronitrobenzene,benzene, 1-bromo-4-chloro-2-nitro,4-bromo-3-nitrochlorobenzene,3-chloro-6-bromonitrobenzene,pubchem3593,acmc-209jkn,1-bromo-4-chloronitrobenzene,ksc490m7r,2-bromo-5-chloro-nitrobenzene,bromo-4-chloro-2-nitrobenzene PubChem CID: 2794904 IUPAC Name: 1-bromo-4-chloro-2-nitrobenzene SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])Br
| PubChem CID | 2794904 |
|---|---|
| CAS | 41513-04-6 |
| Molecular Weight (g/mol) | 236.449 |
| MDL Number | MFCD00024320 |
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])Br |
| Synonym | 2-bromo-5-chloronitrobenzene,benzene, 1-bromo-4-chloro-2-nitro,4-bromo-3-nitrochlorobenzene,3-chloro-6-bromonitrobenzene,pubchem3593,acmc-209jkn,1-bromo-4-chloronitrobenzene,ksc490m7r,2-bromo-5-chloro-nitrobenzene,bromo-4-chloro-2-nitrobenzene |
| IUPAC Name | 1-bromo-4-chloro-2-nitrobenzene |
| InChI Key | UKTIMFAJRPSNGR-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrClNO2 |
4-Bromobiphenyl, 98+%
CAS: 92-66-0 Molecular Formula: C12H9Br Molecular Weight (g/mol): 233.108 MDL Number: MFCD00000100 InChI Key: PKJBWOWQJHHAHG-UHFFFAOYSA-N Synonym: 4-bromobiphenyl,p-bromobiphenyl,4-bromo-1,1'-biphenyl,4-bromodiphenyl,1,1'-biphenyl, 4-bromo,4-biphenyl bromide,p-bromodiphenyl,biphenyl, 4-bromo,4-bromo-biphenyl,p-phenylbromobenzene PubChem CID: 7101 IUPAC Name: 1-bromo-4-phenylbenzene SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)Br
| PubChem CID | 7101 |
|---|---|
| CAS | 92-66-0 |
| Molecular Weight (g/mol) | 233.108 |
| MDL Number | MFCD00000100 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)Br |
| Synonym | 4-bromobiphenyl,p-bromobiphenyl,4-bromo-1,1'-biphenyl,4-bromodiphenyl,1,1'-biphenyl, 4-bromo,4-biphenyl bromide,p-bromodiphenyl,biphenyl, 4-bromo,4-bromo-biphenyl,p-phenylbromobenzene |
| IUPAC Name | 1-bromo-4-phenylbenzene |
| InChI Key | PKJBWOWQJHHAHG-UHFFFAOYSA-N |
| Molecular Formula | C12H9Br |
p-Fluorobenzyl Bromide,MP Biomedicals
CAS: 459-46-1 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.03 MDL Number: MFCD00000359 InChI Key: NVNPLEPBDPJYRZ-UHFFFAOYSA-N Synonym: 4-fluorobenzyl bromide,1-bromomethyl-4-fluorobenzene,p-fluorobenzyl bromide,4-fluorobenzylbromide,benzene, 1-bromomethyl-4-fluoro,alpha-bromo-p-fluorotoluene,alpha-bromo-4-fluorotoluene,1-bromomethyl-4-fluoro-benzene,4-bromomethyl-1-fluorobenzene,para-fluorobenzyl bromide PubChem CID: 68021 IUPAC Name: 1-(bromomethyl)-4-fluorobenzene SMILES: FC1=CC=C(CBr)C=C1
| PubChem CID | 68021 |
|---|---|
| CAS | 459-46-1 |
| Molecular Weight (g/mol) | 189.03 |
| MDL Number | MFCD00000359 |
| SMILES | FC1=CC=C(CBr)C=C1 |
| Synonym | 4-fluorobenzyl bromide,1-bromomethyl-4-fluorobenzene,p-fluorobenzyl bromide,4-fluorobenzylbromide,benzene, 1-bromomethyl-4-fluoro,alpha-bromo-p-fluorotoluene,alpha-bromo-4-fluorotoluene,1-bromomethyl-4-fluoro-benzene,4-bromomethyl-1-fluorobenzene,para-fluorobenzyl bromide |
| IUPAC Name | 1-(bromomethyl)-4-fluorobenzene |
| InChI Key | NVNPLEPBDPJYRZ-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrF |
4-Nitrobenzyl bromide, 99%
CAS: 100-11-8 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.03 MDL Number: MFCD00007373 InChI Key: VOLRSQPSJGXRNJ-UHFFFAOYSA-N Synonym: 4-nitrobenzyl bromide,1-bromomethyl-4-nitrobenzene,p-nitrobenzyl bromide,nitrobenzyl bromide,alpha-bromo-4-nitrotoluene,benzene, 1-bromomethyl-4-nitro,p-bromomethyl nitrobenzene,4-bromomethyl nitrobenzene,alpha-bromo-p-nitrotoluene,4-nitrobenzylbromide PubChem CID: 66011 ChEBI: CHEBI:62822 IUPAC Name: 1-(bromomethyl)-4-nitrobenzene SMILES: [O-][N+](=O)C1=CC=C(CBr)C=C1
| PubChem CID | 66011 |
|---|---|
| CAS | 100-11-8 |
| Molecular Weight (g/mol) | 216.03 |
| ChEBI | CHEBI:62822 |
| MDL Number | MFCD00007373 |
| SMILES | [O-][N+](=O)C1=CC=C(CBr)C=C1 |
| Synonym | 4-nitrobenzyl bromide,1-bromomethyl-4-nitrobenzene,p-nitrobenzyl bromide,nitrobenzyl bromide,alpha-bromo-4-nitrotoluene,benzene, 1-bromomethyl-4-nitro,p-bromomethyl nitrobenzene,4-bromomethyl nitrobenzene,alpha-bromo-p-nitrotoluene,4-nitrobenzylbromide |
| IUPAC Name | 1-(bromomethyl)-4-nitrobenzene |
| InChI Key | VOLRSQPSJGXRNJ-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO2 |
1-Iodo-4-nitrobenzene, 99%
CAS: 636-98-6 Molecular Formula: C6H4INO2 Molecular Weight (g/mol): 249.01 MDL Number: MFCD00007299 InChI Key: SCCCFNJTCDSLCY-UHFFFAOYSA-N Synonym: benzene, 1-iodo-4-nitro,p-iodonitrobenzene,4-iodonitrobenzene,p-nitroiodobenzene,4-nitroiodobenzene,4-iodo-nitrobenzene,p-nitrophenyl iodide,1-iodo-4-nitro-benzene,4-iodo-1-nitrobenzene,4-nitro-1-iodobenzene PubChem CID: 12495 IUPAC Name: 1-iodo-4-nitrobenzene SMILES: C1=CC(=CC=C1[N+](=O)[O-])I
| PubChem CID | 12495 |
|---|---|
| CAS | 636-98-6 |
| Molecular Weight (g/mol) | 249.01 |
| MDL Number | MFCD00007299 |
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])I |
| Synonym | benzene, 1-iodo-4-nitro,p-iodonitrobenzene,4-iodonitrobenzene,p-nitroiodobenzene,4-nitroiodobenzene,4-iodo-nitrobenzene,p-nitrophenyl iodide,1-iodo-4-nitro-benzene,4-iodo-1-nitrobenzene,4-nitro-1-iodobenzene |
| IUPAC Name | 1-iodo-4-nitrobenzene |
| InChI Key | SCCCFNJTCDSLCY-UHFFFAOYSA-N |
| Molecular Formula | C6H4INO2 |
2'-Acetonaphthone, 99%
CAS: 93-08-3 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.21 MDL Number: MFCD00004108 InChI Key: XSAYZAUNJMRRIR-UHFFFAOYSA-N Synonym: 2-acetylnaphthalene,2-acetonaphthone,2'-acetonaphthone,methyl 2-naphthyl ketone,acetonaphthone,1-naphthalen-2-yl ethanone,1-2-naphthyl ethanone,ethanone, 1-2-naphthalenyl,oranger cyrstals,2-naphthyl methyl ketone PubChem CID: 7122 ChEBI: CHEBI:52364 IUPAC Name: 1-naphthalen-2-ylethanone SMILES: CC(=O)C1=CC2=CC=CC=C2C=C1
| PubChem CID | 7122 |
|---|---|
| CAS | 93-08-3 |
| Molecular Weight (g/mol) | 170.21 |
| ChEBI | CHEBI:52364 |
| MDL Number | MFCD00004108 |
| SMILES | CC(=O)C1=CC2=CC=CC=C2C=C1 |
| Synonym | 2-acetylnaphthalene,2-acetonaphthone,2'-acetonaphthone,methyl 2-naphthyl ketone,acetonaphthone,1-naphthalen-2-yl ethanone,1-2-naphthyl ethanone,ethanone, 1-2-naphthalenyl,oranger cyrstals,2-naphthyl methyl ketone |
| IUPAC Name | 1-naphthalen-2-ylethanone |
| InChI Key | XSAYZAUNJMRRIR-UHFFFAOYSA-N |
| Molecular Formula | C12H10O |