Benzene and substituted derivatives
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4-Bromo-2-methylbiphenyl, 98%
CAS: 5002-26-6 Molecular Formula: C13H11Br Molecular Weight (g/mol): 247.135 MDL Number: MFCD03093069 InChI Key: ZBNARPVMXYNXQQ-UHFFFAOYSA-N Synonym: 4-bromo-2-methylbiphenyl,4-bromo-2-methyl-1,1'-biphenyl,acmc-1asrj,2-methyl-4-bromobiphenyl,4-bromo-2-methyl-biphenyl,3-methyl-4-phenylbromobenzene,4-bromanyl-2-methyl-1-phenyl-benzene PubChem CID: 9964845 IUPAC Name: 4-bromo-2-methyl-1-phenylbenzene SMILES: CC1=C(C=CC(=C1)Br)C2=CC=CC=C2
| PubChem CID | 9964845 |
|---|---|
| CAS | 5002-26-6 |
| Molecular Weight (g/mol) | 247.135 |
| MDL Number | MFCD03093069 |
| SMILES | CC1=C(C=CC(=C1)Br)C2=CC=CC=C2 |
| Synonym | 4-bromo-2-methylbiphenyl,4-bromo-2-methyl-1,1'-biphenyl,acmc-1asrj,2-methyl-4-bromobiphenyl,4-bromo-2-methyl-biphenyl,3-methyl-4-phenylbromobenzene,4-bromanyl-2-methyl-1-phenyl-benzene |
| IUPAC Name | 4-bromo-2-methyl-1-phenylbenzene |
| InChI Key | ZBNARPVMXYNXQQ-UHFFFAOYSA-N |
| Molecular Formula | C13H11Br |
(±)-Verapamil Hydrochloride, MP Biomedicals™
CAS: 152-11-4 Molecular Formula: C27H39ClN2O4 Molecular Weight (g/mol): 491.069 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) | 491.069 |
| 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 | C27H39ClN2O4 |
(2-Bromoethyl)triphenylphosphonium bromide, 98%
CAS: 7301-93-1 Molecular Formula: C20H19Br2P Molecular Weight (g/mol): 450.15 MDL Number: MFCD04039352 InChI Key: ZHLVWYZWQPNQDQ-UHFFFAOYSA-M Synonym: 2-bromoethyl triphenylphosphonium bromide,phosphonium, 2-bromoethyl triphenyl-, bromide,2-bromoethyl triphenylphosohonium bromide,2-bromoethyl triphenylphosphanium bromide,2-bromoethyl triphenyl phosphanium bromide,2-bromoethyl triphenyl phosphonium bromide,phosphonium, 2-bromoethyl triphenyl-,bromide PubChem CID: 22210408 IUPAC Name: 2-bromoethyl(triphenyl)phosphanium;bromide SMILES: [Br-].BrCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 22210408 |
|---|---|
| CAS | 7301-93-1 |
| Molecular Weight (g/mol) | 450.15 |
| MDL Number | MFCD04039352 |
| SMILES | [Br-].BrCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 2-bromoethyl triphenylphosphonium bromide,phosphonium, 2-bromoethyl triphenyl-, bromide,2-bromoethyl triphenylphosohonium bromide,2-bromoethyl triphenylphosphanium bromide,2-bromoethyl triphenyl phosphanium bromide,2-bromoethyl triphenyl phosphonium bromide,phosphonium, 2-bromoethyl triphenyl-,bromide |
| IUPAC Name | 2-bromoethyl(triphenyl)phosphanium;bromide |
| InChI Key | ZHLVWYZWQPNQDQ-UHFFFAOYSA-M |
| Molecular Formula | C20H19Br2P |
Propylparaben, NF, BP, EP, 98-102%, Spectrum™ Chemical
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CAS: 94-13-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 InChI Key: QELSKZZBTMNZEB-UHFFFAOYSA-N IUPAC Name: propyl 4-hydroxybenzoate SMILES: CCCOC(=O)C1=CC=C(O)C=C1
| CAS | 94-13-3 |
|---|---|
| Molecular Weight (g/mol) | 180.20 |
| SMILES | CCCOC(=O)C1=CC=C(O)C=C1 |
| IUPAC Name | propyl 4-hydroxybenzoate |
| InChI Key | QELSKZZBTMNZEB-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Fluconazole, USP, 98-102%, Spectrum™ Chemical
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CAS: 86386-73-4 Molecular Formula: C13H12F2N6O Molecular Weight (g/mol): 306.28 InChI Key: RFHAOTPXVQNOHP-UHFFFAOYSA-N IUPAC Name: 2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol SMILES: OC(CN1C=NC=N1)(CN1C=NC=N1)C1=CC=C(F)C=C1F
| CAS | 86386-73-4 |
|---|---|
| Molecular Weight (g/mol) | 306.28 |
| SMILES | OC(CN1C=NC=N1)(CN1C=NC=N1)C1=CC=C(F)C=C1F |
| IUPAC Name | 2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol |
| InChI Key | RFHAOTPXVQNOHP-UHFFFAOYSA-N |
| Molecular Formula | C13H12F2N6O |
Sodium Salicylate, Crystal, USP, 98-102%, Spectrum™ Chemical
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CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.10 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M IUPAC Name: sodium 2-hydroxybenzoate SMILES: [Na+].OC1=CC=CC=C1C([O-])=O
| CAS | 54-21-7 |
|---|---|
| Molecular Weight (g/mol) | 160.10 |
| SMILES | [Na+].OC1=CC=CC=C1C([O-])=O |
| IUPAC Name | sodium 2-hydroxybenzoate |
| InChI Key | ABBQHOQBGMUPJH-UHFFFAOYSA-M |
| Molecular Formula | C7H5NaO3 |
Benzyl Benzoate, USP, 99-100.5%, Spectrum™ Chemical
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CAS: 120-51-4 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00003075 InChI Key: SESFRYSPDFLNCH-UHFFFAOYSA-N IUPAC Name: benzyl benzoate SMILES: O=C(OCC1=CC=CC=C1)C1=CC=CC=C1
| CAS | 120-51-4 |
|---|---|
| Molecular Weight (g/mol) | 212.25 |
| MDL Number | MFCD00003075 |
| SMILES | O=C(OCC1=CC=CC=C1)C1=CC=CC=C1 |
| IUPAC Name | benzyl benzoate |
| InChI Key | SESFRYSPDFLNCH-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
Methyl Salicylate, NF, 98-102%, Spectrum™ Chemical
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CAS: 119-36-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 InChI Key: OSWPMRLSEDHDFF-UHFFFAOYSA-N IUPAC Name: methyl 2-hydroxybenzoate SMILES: COC(=O)C1=CC=CC=C1O
| CAS | 119-36-8 |
|---|---|
| Molecular Weight (g/mol) | 152.15 |
| SMILES | COC(=O)C1=CC=CC=C1O |
| IUPAC Name | methyl 2-hydroxybenzoate |
| InChI Key | OSWPMRLSEDHDFF-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
Hexadimethrine Bromide, Spectrum™ Chemical
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CAS: 28728-55-4
| CAS | 28728-55-4 |
|---|
3-(3-Bromophenyl)-1H-pyrazole, 98%, Thermo Scientific Chemicals
CAS: 149739-65-1 Molecular Formula: C9H7BrN2 Molecular Weight (g/mol): 223.07 MDL Number: MFCD01940433 InChI Key: NVRXIZHZQPRBKL-UHFFFAOYSA-N Synonym: 3-3-bromophenyl-1h-pyrazole,5-3-bromophenyl-1h-pyrazole,5-3-bromo-phenyl-1h-pyrazole,3-3-bromophenyl pyrazole,3-3-bromophenyl-2h-pyrazole,1h-pyrazole, 3-3-bromophenyl,1-bromo-3-1h-pyrazol-3-yl benzene,5-3-bromophenyl pyrazole,acmc-1c2w8,ksc494i0r PubChem CID: 2735613 IUPAC Name: 5-(3-bromophenyl)-1H-pyrazole SMILES: BrC1=CC=CC(=C1)C1=CC=NN1
| PubChem CID | 2735613 |
|---|---|
| CAS | 149739-65-1 |
| Molecular Weight (g/mol) | 223.07 |
| MDL Number | MFCD01940433 |
| SMILES | BrC1=CC=CC(=C1)C1=CC=NN1 |
| Synonym | 3-3-bromophenyl-1h-pyrazole,5-3-bromophenyl-1h-pyrazole,5-3-bromo-phenyl-1h-pyrazole,3-3-bromophenyl pyrazole,3-3-bromophenyl-2h-pyrazole,1h-pyrazole, 3-3-bromophenyl,1-bromo-3-1h-pyrazol-3-yl benzene,5-3-bromophenyl pyrazole,acmc-1c2w8,ksc494i0r |
| IUPAC Name | 5-(3-bromophenyl)-1H-pyrazole |
| InChI Key | NVRXIZHZQPRBKL-UHFFFAOYSA-N |
| Molecular Formula | C9H7BrN2 |
(2-Butenyl)triphenylphosphonium chloride, 97%
CAS: 13138-25-5 Molecular Formula: C22H22ClP Molecular Weight (g/mol): 352.84 MDL Number: MFCD00051868 InChI Key: YYTDJYJBYMQMDI-SQQVDAMQSA-M Synonym: 2-butenyl triphenylphosphonium chloride,but-2-en-1-yltriphenylphosphonium chloride,2e-but-2-en-1-yltriphenylphosphanium chloride PubChem CID: 11824356 IUPAC Name: [(E)-but-2-enyl]-triphenylphosphanium;chloride SMILES: [Cl-].C\C=C\C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 11824356 |
|---|---|
| CAS | 13138-25-5 |
| Molecular Weight (g/mol) | 352.84 |
| MDL Number | MFCD00051868 |
| SMILES | [Cl-].C\C=C\C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 2-butenyl triphenylphosphonium chloride,but-2-en-1-yltriphenylphosphonium chloride,2e-but-2-en-1-yltriphenylphosphanium chloride |
| IUPAC Name | [(E)-but-2-enyl]-triphenylphosphanium;chloride |
| InChI Key | YYTDJYJBYMQMDI-SQQVDAMQSA-M |
| Molecular Formula | C22H22ClP |
Methylparaben, NF, 98-102%, Spectrum™ Chemical
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CAS: 99-76-3 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 InChI Key: LXCFILQKKLGQFO-UHFFFAOYSA-N IUPAC Name: methyl 4-hydroxybenzoate SMILES: COC(=O)C1=CC=C(O)C=C1
| CAS | 99-76-3 |
|---|---|
| Molecular Weight (g/mol) | 152.15 |
| SMILES | COC(=O)C1=CC=C(O)C=C1 |
| IUPAC Name | methyl 4-hydroxybenzoate |
| InChI Key | LXCFILQKKLGQFO-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
Phenylhydrazine Hydrochloride, Crystal, Reagent, 98.5-101.5%, Spectrum™ Chemical
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CAS: 59-88-1 Molecular Formula: C6H9ClN2 Molecular Weight (g/mol): 144.60 MDL Number: MFCD00012924 InChI Key: JOVOSQBPPZZESK-UHFFFAOYSA-N IUPAC Name: hydrogen phenylhydrazine chloride SMILES: [H+].[Cl-].NNC1=CC=CC=C1
| CAS | 59-88-1 |
|---|---|
| Molecular Weight (g/mol) | 144.60 |
| MDL Number | MFCD00012924 |
| SMILES | [H+].[Cl-].NNC1=CC=CC=C1 |
| IUPAC Name | hydrogen phenylhydrazine chloride |
| InChI Key | JOVOSQBPPZZESK-UHFFFAOYSA-N |
| Molecular Formula | C6H9ClN2 |
4-Nitrobenzyl alcohol, 99%
CAS: 619-73-8 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007376 InChI Key: JKTYGPATCNUWKN-UHFFFAOYSA-N Synonym: 4-nitrobenzyl alcohol,4-nitrophenyl methanol,p-nitrobenzyl alcohol,benzenemethanol, 4-nitro,4-nitrobenzenemethanol,p-hydroxymethyl nitrobenzene,benzyl alcohol, p-nitro,paranitrobenzyl alcohol,4-nitrobenzylalcohol,unii-86btj68y9m PubChem CID: 69275 ChEBI: CHEBI:41214 IUPAC Name: (4-nitrophenyl)methanol SMILES: OCC1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 69275 |
|---|---|
| CAS | 619-73-8 |
| Molecular Weight (g/mol) | 153.14 |
| ChEBI | CHEBI:41214 |
| MDL Number | MFCD00007376 |
| SMILES | OCC1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | 4-nitrobenzyl alcohol,4-nitrophenyl methanol,p-nitrobenzyl alcohol,benzenemethanol, 4-nitro,4-nitrobenzenemethanol,p-hydroxymethyl nitrobenzene,benzyl alcohol, p-nitro,paranitrobenzyl alcohol,4-nitrobenzylalcohol,unii-86btj68y9m |
| IUPAC Name | (4-nitrophenyl)methanol |
| InChI Key | JKTYGPATCNUWKN-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
4,4'-Diphenoxybenzophenone, 98%
CAS: 14984-21-5 Molecular Formula: C25H18O3 Molecular Weight (g/mol): 366.42 MDL Number: MFCD00077969 InChI Key: BSILAEQTGTZMIW-UHFFFAOYSA-N Synonym: 4,4'-diphenoxybenzophenone,bis 4-phenoxyphenyl methanone,methanone, bis 4-phenoxyphenyl,unii-2l24ex5o0x,benzophenone, 4,4'-diphenoxy,di4-phenoxyphenyl ketone,zlchem 703,acmc-1br23,4,4/'-diphenoxybenzophenone,4,4'-bis phenoxy benzophenone PubChem CID: 84743 IUPAC Name: bis(4-phenoxyphenyl)methanone SMILES: O=C(C1=CC=C(OC2=CC=CC=C2)C=C1)C1=CC=C(OC2=CC=CC=C2)C=C1
| PubChem CID | 84743 |
|---|---|
| CAS | 14984-21-5 |
| Molecular Weight (g/mol) | 366.42 |
| MDL Number | MFCD00077969 |
| SMILES | O=C(C1=CC=C(OC2=CC=CC=C2)C=C1)C1=CC=C(OC2=CC=CC=C2)C=C1 |
| Synonym | 4,4'-diphenoxybenzophenone,bis 4-phenoxyphenyl methanone,methanone, bis 4-phenoxyphenyl,unii-2l24ex5o0x,benzophenone, 4,4'-diphenoxy,di4-phenoxyphenyl ketone,zlchem 703,acmc-1br23,4,4/'-diphenoxybenzophenone,4,4'-bis phenoxy benzophenone |
| IUPAC Name | bis(4-phenoxyphenyl)methanone |
| InChI Key | BSILAEQTGTZMIW-UHFFFAOYSA-N |
| Molecular Formula | C25H18O3 |