Benzene and substituted derivatives
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Thermo Scientific Chemicals (±)-Verapamil hydrochloride, 99+%
CAS: 152-11-4 Molecular Formula: C27H38N2O4·HCl Molecular Weight (g/mol): 491.07 MDL Number: MFCD00055208 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYSA-N Synonym: verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril PubChem CID: 62969 IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride SMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl
| PubChem CID | 62969 |
|---|---|
| CAS | 152-11-4 |
| Molecular Weight (g/mol) | 491.07 |
| MDL Number | MFCD00055208 |
| SMILES | CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl |
| Synonym | verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride |
| InChI Key | DOQPXTMNIUCOSY-UHFFFAOYSA-N |
| Molecular Formula | C27H38N2O4·HCl |
Diphenyl carbonate, 99%
CAS: 102-09-0 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00003037 InChI Key: ROORDVPLFPIABK-UHFFFAOYSA-N Synonym: carbonic acid, diphenyl ester,phenyl carbonate,diphenylcarbonate,carbonic acid diphenyl ester,phenyl carbonate pho 2co,unii-ywv401idyn,ph2co3,pho 2co,ywv401idyn,phenyl phenoxyformate PubChem CID: 7597 ChEBI: CHEBI:34722 IUPAC Name: diphenyl carbonate SMILES: C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2
| PubChem CID | 7597 |
|---|---|
| CAS | 102-09-0 |
| Molecular Weight (g/mol) | 214.22 |
| ChEBI | CHEBI:34722 |
| MDL Number | MFCD00003037 |
| SMILES | C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2 |
| Synonym | carbonic acid, diphenyl ester,phenyl carbonate,diphenylcarbonate,carbonic acid diphenyl ester,phenyl carbonate pho 2co,unii-ywv401idyn,ph2co3,pho 2co,ywv401idyn,phenyl phenoxyformate |
| IUPAC Name | diphenyl carbonate |
| InChI Key | ROORDVPLFPIABK-UHFFFAOYSA-N |
| Molecular Formula | C13H10O3 |
3-Bromobenzoic acid, 99%
CAS: 585-76-2 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.02 MDL Number: MFCD00002487 InChI Key: VOIZNVUXCQLQHS-UHFFFAOYSA-N Synonym: m-bromobenzoic acid,3-brombenzoic acid,benzoic acid, 3-bromo,3-bromo-benzoic acid,benzoic acid, m-bromo,unii-7dct3a73lx,7dct3a73lx,3-bromo benzene acid,3-bromobenzoicacid,4-fluorobenzoicacid PubChem CID: 11456 IUPAC Name: 3-bromobenzoic acid SMILES: C1=CC(=CC(=C1)Br)C(=O)O
| PubChem CID | 11456 |
|---|---|
| CAS | 585-76-2 |
| Molecular Weight (g/mol) | 201.02 |
| MDL Number | MFCD00002487 |
| SMILES | C1=CC(=CC(=C1)Br)C(=O)O |
| Synonym | m-bromobenzoic acid,3-brombenzoic acid,benzoic acid, 3-bromo,3-bromo-benzoic acid,benzoic acid, m-bromo,unii-7dct3a73lx,7dct3a73lx,3-bromo benzene acid,3-bromobenzoicacid,4-fluorobenzoicacid |
| IUPAC Name | 3-bromobenzoic acid |
| InChI Key | VOIZNVUXCQLQHS-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO2 |
2-Aminoterephthalic acid, 99%
CAS: 10312-55-7 Molecular Formula: C8H5NO4 Molecular Weight (g/mol): 179.13 MDL Number: MFCD00134536 InChI Key: GPNNOCMCNFXRAO-UHFFFAOYSA-L Synonym: aminoterephthalic acid,2-aminobenzene-1,4-dicarboxylic acid,2-amino-1,4-benzenedicarboxylic acid,4-carboxyanthranilic acid,1,4-benzenedicarboxylic acid, 2-amino,2-aminoterephthalic,aminoterephthalicacid,2,5-dicarboxyaniline,2-aminoterephtalic acid,timtec-bb sbb006751 PubChem CID: 2724822 IUPAC Name: 2-aminoterephthalic acid SMILES: NC1=CC(=CC=C1C([O-])=O)C([O-])=O
| PubChem CID | 2724822 |
|---|---|
| CAS | 10312-55-7 |
| Molecular Weight (g/mol) | 179.13 |
| MDL Number | MFCD00134536 |
| SMILES | NC1=CC(=CC=C1C([O-])=O)C([O-])=O |
| Synonym | aminoterephthalic acid,2-aminobenzene-1,4-dicarboxylic acid,2-amino-1,4-benzenedicarboxylic acid,4-carboxyanthranilic acid,1,4-benzenedicarboxylic acid, 2-amino,2-aminoterephthalic,aminoterephthalicacid,2,5-dicarboxyaniline,2-aminoterephtalic acid,timtec-bb sbb006751 |
| IUPAC Name | 2-aminoterephthalic acid |
| InChI Key | GPNNOCMCNFXRAO-UHFFFAOYSA-L |
| Molecular Formula | C8H5NO4 |
4,4'-Difluorobenzophenone, 98+%
CAS: 345-92-6 Molecular Formula: C13H8F2O Molecular Weight (g/mol): 218.20 MDL Number: MFCD00000353 InChI Key: LSQARZALBDFYQZ-UHFFFAOYSA-N Synonym: 4,4'-difluorobenzophenone,bis 4-fluorophenyl methanone,bis 4-fluorophenyl-methanone,methanone, bis 4-fluorophenyl,p,p'-difluorobenzophenone,di-p-fluorophenyl ketone,bis p-fluorophenyl ketone,bis 4-fluorophenyl ketone,benzophenone, 4,4'-difluoro,unii-88bnc11b9c PubChem CID: 9582 IUPAC Name: bis(4-fluorophenyl)methanone SMILES: FC1=CC=C(C=C1)C(=O)C1=CC=C(F)C=C1
| PubChem CID | 9582 |
|---|---|
| CAS | 345-92-6 |
| Molecular Weight (g/mol) | 218.20 |
| MDL Number | MFCD00000353 |
| SMILES | FC1=CC=C(C=C1)C(=O)C1=CC=C(F)C=C1 |
| Synonym | 4,4'-difluorobenzophenone,bis 4-fluorophenyl methanone,bis 4-fluorophenyl-methanone,methanone, bis 4-fluorophenyl,p,p'-difluorobenzophenone,di-p-fluorophenyl ketone,bis p-fluorophenyl ketone,bis 4-fluorophenyl ketone,benzophenone, 4,4'-difluoro,unii-88bnc11b9c |
| IUPAC Name | bis(4-fluorophenyl)methanone |
| InChI Key | LSQARZALBDFYQZ-UHFFFAOYSA-N |
| Molecular Formula | C13H8F2O |
4,4'-Dimethylbenzophenone, 98+%
CAS: 611-97-2 Molecular Formula: C15H14O Molecular Weight (g/mol): 210.276 MDL Number: MFCD00017214 InChI Key: ZWPWLKXZYNXATK-UHFFFAOYSA-N Synonym: 4,4'-dimethylbenzophenone,p-tolyl ketone,bis 4-methylphenyl methanone,di-p-tolyl ketone,methanone, bis 4-methylphenyl,p,p'-dimethylbenzophenone,p,p'-dimethyl di-phenyl ketone,bis-p-tolylmethanone,benzophenone, 4,4'-dimethyl,4,4-dimethylbenzophenone PubChem CID: 69148 IUPAC Name: bis(4-methylphenyl)methanone SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C
| PubChem CID | 69148 |
|---|---|
| CAS | 611-97-2 |
| Molecular Weight (g/mol) | 210.276 |
| MDL Number | MFCD00017214 |
| SMILES | CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C |
| Synonym | 4,4'-dimethylbenzophenone,p-tolyl ketone,bis 4-methylphenyl methanone,di-p-tolyl ketone,methanone, bis 4-methylphenyl,p,p'-dimethylbenzophenone,p,p'-dimethyl di-phenyl ketone,bis-p-tolylmethanone,benzophenone, 4,4'-dimethyl,4,4-dimethylbenzophenone |
| IUPAC Name | bis(4-methylphenyl)methanone |
| InChI Key | ZWPWLKXZYNXATK-UHFFFAOYSA-N |
| Molecular Formula | C15H14O |
4-Mercaptobenzoic acid, 90%
CAS: 1074-36-8 Molecular Formula: C7H6O2S Molecular Weight (g/mol): 154.18 MDL Number: MFCD00016617 InChI Key: LMJXSOYPAOSIPZ-UHFFFAOYSA-N Synonym: 4-mercaptobenzoic acid,4-mercaptobenzoate,benzoic acid, 4-mercapto,4-mercapto-benzoic acid,4-mercapto benzoic acid,4-thiobenzoic acid,p-mercaptobenzoic acid,benzoic acid, p-mercapto,para-mercaptobenzoate,paracarboxythiophenol PubChem CID: 95738 IUPAC Name: 4-sulfanylbenzoic acid SMILES: OC(=O)C1=CC=C(S)C=C1
| PubChem CID | 95738 |
|---|---|
| CAS | 1074-36-8 |
| Molecular Weight (g/mol) | 154.18 |
| MDL Number | MFCD00016617 |
| SMILES | OC(=O)C1=CC=C(S)C=C1 |
| Synonym | 4-mercaptobenzoic acid,4-mercaptobenzoate,benzoic acid, 4-mercapto,4-mercapto-benzoic acid,4-mercapto benzoic acid,4-thiobenzoic acid,p-mercaptobenzoic acid,benzoic acid, p-mercapto,para-mercaptobenzoate,paracarboxythiophenol |
| IUPAC Name | 4-sulfanylbenzoic acid |
| InChI Key | LMJXSOYPAOSIPZ-UHFFFAOYSA-N |
| Molecular Formula | C7H6O2S |
3-(Trifluoromethyl)benzylamine, 97%
CAS: 2740-83-2 Molecular Formula: C8H8F3N Molecular Weight (g/mol): 175.154 MDL Number: MFCD00008117 InChI Key: YKNZTUQUXUXTLE-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzylamine,3-trifluoromethyl phenyl methanamine,3-trifluoromethylbenzylamine,m-trifluoromethylbenzylamine,m-trifluoromethylbenzyl amine,3-trifluoromethyl benzyl amine,benzenemethanamine, 3-trifluoromethyl,3-trifluoromethyl-benzylamine,m-trifluoromethyl benzylamine PubChem CID: 75962 IUPAC Name: [3-(trifluoromethyl)phenyl]methanamine SMILES: C1=CC(=CC(=C1)C(F)(F)F)CN
| PubChem CID | 75962 |
|---|---|
| CAS | 2740-83-2 |
| Molecular Weight (g/mol) | 175.154 |
| MDL Number | MFCD00008117 |
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CN |
| Synonym | 3-trifluoromethyl benzylamine,3-trifluoromethyl phenyl methanamine,3-trifluoromethylbenzylamine,m-trifluoromethylbenzylamine,m-trifluoromethylbenzyl amine,3-trifluoromethyl benzyl amine,benzenemethanamine, 3-trifluoromethyl,3-trifluoromethyl-benzylamine,m-trifluoromethyl benzylamine |
| IUPAC Name | [3-(trifluoromethyl)phenyl]methanamine |
| InChI Key | YKNZTUQUXUXTLE-UHFFFAOYSA-N |
| Molecular Formula | C8H8F3N |
Tris(2,4-di-tert-butylphenyl) Phosphite 98.0+%, TCI America™
CAS: 31570-04-4 Molecular Formula: C42H63O3P Molecular Weight (g/mol): 646.937 MDL Number: MFCD00072706 InChI Key: JKIJEFPNVSHHEI-UHFFFAOYSA-N Synonym: Phosphorous Acid Tris(2,4-di-tert-butylphenyl) Ester PubChem CID: 91601 IUPAC Name: tris(2,4-ditert-butylphenyl) phosphite SMILES: CC(C)(C)C1=CC(=C(C=C1)OP(OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)OC3=C(C=C(C=C3)C(C)(C)C)C(C)(C)C)C(C)(C)C
| PubChem CID | 91601 |
|---|---|
| CAS | 31570-04-4 |
| Molecular Weight (g/mol) | 646.937 |
| MDL Number | MFCD00072706 |
| SMILES | CC(C)(C)C1=CC(=C(C=C1)OP(OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)OC3=C(C=C(C=C3)C(C)(C)C)C(C)(C)C)C(C)(C)C |
| Synonym | Phosphorous Acid Tris(2,4-di-tert-butylphenyl) Ester |
| IUPAC Name | tris(2,4-ditert-butylphenyl) phosphite |
| InChI Key | JKIJEFPNVSHHEI-UHFFFAOYSA-N |
| Molecular Formula | C42H63O3P |
4-[(Trimethylsilyl)ethynyl]benzaldehyde, 97%
CAS: 77123-57-0 Molecular Formula: C12H14OSi Molecular Weight (g/mol): 202.33 MDL Number: MFCD02093765 InChI Key: UZQDUXAJFTWMDT-UHFFFAOYSA-N Synonym: 4-trimethylsilyl ethynyl benzaldehyde,4-trimethylsilyl ethynylbenzaldehyde,4-2-trimethylsilylethynyl benzaldehyde,4-2-trimethylsilyl ethynyl benzaldehyde,benzaldehyde, 4-trimethylsilyl ethynyl,acmc-1bios,p-trimethylsilylethynylbenzaldehyde,4-trimethylsilylethynylbenzaldehyde PubChem CID: 2771643 IUPAC Name: 4-(2-trimethylsilylethynyl)benzaldehyde SMILES: C[Si](C)(C)C#CC1=CC=C(C=O)C=C1
| PubChem CID | 2771643 |
|---|---|
| CAS | 77123-57-0 |
| Molecular Weight (g/mol) | 202.33 |
| MDL Number | MFCD02093765 |
| SMILES | C[Si](C)(C)C#CC1=CC=C(C=O)C=C1 |
| Synonym | 4-trimethylsilyl ethynyl benzaldehyde,4-trimethylsilyl ethynylbenzaldehyde,4-2-trimethylsilylethynyl benzaldehyde,4-2-trimethylsilyl ethynyl benzaldehyde,benzaldehyde, 4-trimethylsilyl ethynyl,acmc-1bios,p-trimethylsilylethynylbenzaldehyde,4-trimethylsilylethynylbenzaldehyde |
| IUPAC Name | 4-(2-trimethylsilylethynyl)benzaldehyde |
| InChI Key | UZQDUXAJFTWMDT-UHFFFAOYSA-N |
| Molecular Formula | C12H14OSi |
4-Methylbenzyl alcohol, 98%
CAS: 589-18-4 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00004664 InChI Key: KMTDMTZBNYGUNX-UHFFFAOYSA-N Synonym: 4-methylbenzyl alcohol,p-tolylmethanol,p-tolylcarbinol,4-methylphenyl methanol,4-tolylcarbinol,p-methylbenzyl alcohol,benzenemethanol, 4-methyl,4-hydroxymethyl toluene,benzyl alcohol, p-methyl,4-methylbenzenemethanol PubChem CID: 11505 ChEBI: CHEBI:1895 IUPAC Name: (4-methylphenyl)methanol SMILES: CC1=CC=C(C=C1)CO
| PubChem CID | 11505 |
|---|---|
| CAS | 589-18-4 |
| Molecular Weight (g/mol) | 122.17 |
| ChEBI | CHEBI:1895 |
| MDL Number | MFCD00004664 |
| SMILES | CC1=CC=C(C=C1)CO |
| Synonym | 4-methylbenzyl alcohol,p-tolylmethanol,p-tolylcarbinol,4-methylphenyl methanol,4-tolylcarbinol,p-methylbenzyl alcohol,benzenemethanol, 4-methyl,4-hydroxymethyl toluene,benzyl alcohol, p-methyl,4-methylbenzenemethanol |
| IUPAC Name | (4-methylphenyl)methanol |
| InChI Key | KMTDMTZBNYGUNX-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
4-(Trifluoromethyl)benzyl alcohol, 98%
CAS: 349-95-1 Molecular Formula: C8H7F3O Molecular Weight (g/mol): 176.138 MDL Number: MFCD00004661 InChI Key: MOOUWXDQAUXZRG-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzyl alcohol,4-trifluoromethyl phenyl methanol,p-trifluoromethylbenzyl alcohol,4-trifluoromethyl benzene methanol,4-trifluoromethyl benzylic alcohol,benzenemethanol, 4-trifluoromethyl,4-trifluoromethylbenzyl alcohol,ccris 5117,4-trifluoromethyl benzylalcohol PubChem CID: 67684 IUPAC Name: [4-(trifluoromethyl)phenyl]methanol SMILES: C1=CC(=CC=C1CO)C(F)(F)F
| PubChem CID | 67684 |
|---|---|
| CAS | 349-95-1 |
| Molecular Weight (g/mol) | 176.138 |
| MDL Number | MFCD00004661 |
| SMILES | C1=CC(=CC=C1CO)C(F)(F)F |
| Synonym | 4-trifluoromethyl benzyl alcohol,4-trifluoromethyl phenyl methanol,p-trifluoromethylbenzyl alcohol,4-trifluoromethyl benzene methanol,4-trifluoromethyl benzylic alcohol,benzenemethanol, 4-trifluoromethyl,4-trifluoromethylbenzyl alcohol,ccris 5117,4-trifluoromethyl benzylalcohol |
| IUPAC Name | [4-(trifluoromethyl)phenyl]methanol |
| InChI Key | MOOUWXDQAUXZRG-UHFFFAOYSA-N |
| Molecular Formula | C8H7F3O |
Capsaicin (Natural) 60.0+%, TCI America™
CAS: 404-86-4 Molecular Formula: C18H27NO3 Molecular Weight (g/mol): 305.418 MDL Number: MFCD00017259 InChI Key: YKPUWZUDDOIDPM-SOFGYWHQSA-N Synonym: capsaicin,zostrix,capsaicine,e-capsaicin,qutenza,styptysat,axsain,isodecenoic acid vanillylamide,trans-8-methyl-n-vanillyl-6-nonenamide PubChem CID: 1548943 ChEBI: CHEBI:3374 IUPAC Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide SMILES: CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
| PubChem CID | 1548943 |
|---|---|
| CAS | 404-86-4 |
| Molecular Weight (g/mol) | 305.418 |
| ChEBI | CHEBI:3374 |
| MDL Number | MFCD00017259 |
| SMILES | CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC |
| Synonym | capsaicin,zostrix,capsaicine,e-capsaicin,qutenza,styptysat,axsain,isodecenoic acid vanillylamide,trans-8-methyl-n-vanillyl-6-nonenamide |
| IUPAC Name | (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide |
| InChI Key | YKPUWZUDDOIDPM-SOFGYWHQSA-N |
| Molecular Formula | C18H27NO3 |
4-Nitrobenzaldehyde, 99%
CAS: 555-16-8 Molecular Formula: C7H5NO3 Molecular Weight (g/mol): 151.12 MDL Number: MFCD00007346 InChI Key: BXRFQSNOROATLV-UHFFFAOYSA-N Synonym: p-nitrobenzaldehyde,benzaldehyde, 4-nitro,p-formylnitrobenzene,benzaldehyde, p-nitro,4-nitrobenzaldehydde,4-nitro-benzaldehyde,4-formylnitrobenzene,p-nitro benzaldehyde,4-nitro benzaldehyde,ccris 1675 PubChem CID: 541 ChEBI: CHEBI:66926 IUPAC Name: 4-nitrobenzaldehyde SMILES: [O-][N+](=O)C1=CC=C(C=O)C=C1
| PubChem CID | 541 |
|---|---|
| CAS | 555-16-8 |
| Molecular Weight (g/mol) | 151.12 |
| ChEBI | CHEBI:66926 |
| MDL Number | MFCD00007346 |
| SMILES | [O-][N+](=O)C1=CC=C(C=O)C=C1 |
| Synonym | p-nitrobenzaldehyde,benzaldehyde, 4-nitro,p-formylnitrobenzene,benzaldehyde, p-nitro,4-nitrobenzaldehydde,4-nitro-benzaldehyde,4-formylnitrobenzene,p-nitro benzaldehyde,4-nitro benzaldehyde,ccris 1675 |
| IUPAC Name | 4-nitrobenzaldehyde |
| InChI Key | BXRFQSNOROATLV-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO3 |
2-Methylbenzyl alcohol, 98%
CAS: 89-95-2 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00004622 InChI Key: XPNGNIFUDRPBFJ-UHFFFAOYSA-N Synonym: 2-methylbenzyl alcohol,o-tolylmethanol,o-tolyl alcohol,2-methylphenyl methanol,o-methylbenzyl alcohol,benzenemethanol, 2-methyl,toluene-methanol,benzyl alcohol, o-methyl,unii-7l3m6y04nc,alpha-hydroxy-o-xylene PubChem CID: 6994 ChEBI: CHEBI:27724 IUPAC Name: (2-methylphenyl)methanol SMILES: CC1=CC=CC=C1CO
| PubChem CID | 6994 |
|---|---|
| CAS | 89-95-2 |
| Molecular Weight (g/mol) | 122.167 |
| ChEBI | CHEBI:27724 |
| MDL Number | MFCD00004622 |
| SMILES | CC1=CC=CC=C1CO |
| Synonym | 2-methylbenzyl alcohol,o-tolylmethanol,o-tolyl alcohol,2-methylphenyl methanol,o-methylbenzyl alcohol,benzenemethanol, 2-methyl,toluene-methanol,benzyl alcohol, o-methyl,unii-7l3m6y04nc,alpha-hydroxy-o-xylene |
| IUPAC Name | (2-methylphenyl)methanol |
| InChI Key | XPNGNIFUDRPBFJ-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |