Benzene and substituted derivatives
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Verapamil Hydrochloride, USP, 98-102%, Spectrum™ Chemical
CAS: 152-11-4 Molecular Formula: C27H39ClN2O4 Molecular Weight (g/mol): 491.07 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYNA-N IUPAC Name: hydrogen 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile chloride SMILES: [H+].[Cl-].COC1=CC=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC=C(OC)C(OC)=C2)C=C1OC
| CAS | 152-11-4 |
|---|---|
| Molecular Weight (g/mol) | 491.07 |
| SMILES | [H+].[Cl-].COC1=CC=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC=C(OC)C(OC)=C2)C=C1OC |
| IUPAC Name | hydrogen 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile chloride |
| InChI Key | DOQPXTMNIUCOSY-UHFFFAOYNA-N |
| Molecular Formula | C27H39ClN2O4 |
[2-(Morpholinomethyl)phenyl]methanol, 97%, Thermo Scientific™
CAS: 91271-63-5 Molecular Formula: C12H17NO2 Molecular Weight (g/mol): 207.273 MDL Number: MFCD03211251 InChI Key: JOBIKMKNOFLXRQ-UHFFFAOYSA-N Synonym: 2-morpholinomethyl phenyl methanol,2-morpholin-4-ylmethyl phenyl methanol,2-morpholinomethyl-benzylalkohol,o-morpholin-1-yl methyl benzyl alcohol,benzenemethanol, 2-4-morpholinylmethyl,2-morpholin-4-yl methyl phenyl methanol,2-morpholin-4-ylmethyl phenyl methan-1-ol,2-morpholin-4-yl-methyl-phenyl-methanol hydrochloride,2-morpholin-4-ylmethyl phenyl methanol saltdata: hcl PubChem CID: 693121 IUPAC Name: [2-(morpholin-4-ylmethyl)phenyl]methanol SMILES: C1COCCN1CC2=CC=CC=C2CO
| PubChem CID | 693121 |
|---|---|
| CAS | 91271-63-5 |
| Molecular Weight (g/mol) | 207.273 |
| MDL Number | MFCD03211251 |
| SMILES | C1COCCN1CC2=CC=CC=C2CO |
| Synonym | 2-morpholinomethyl phenyl methanol,2-morpholin-4-ylmethyl phenyl methanol,2-morpholinomethyl-benzylalkohol,o-morpholin-1-yl methyl benzyl alcohol,benzenemethanol, 2-4-morpholinylmethyl,2-morpholin-4-yl methyl phenyl methanol,2-morpholin-4-ylmethyl phenyl methan-1-ol,2-morpholin-4-yl-methyl-phenyl-methanol hydrochloride,2-morpholin-4-ylmethyl phenyl methanol saltdata: hcl |
| IUPAC Name | [2-(morpholin-4-ylmethyl)phenyl]methanol |
| InChI Key | JOBIKMKNOFLXRQ-UHFFFAOYSA-N |
| Molecular Formula | C12H17NO2 |
2-Nitrobenzotrifluoride, 98%, Thermo Scientific™
CAS: 384-22-5 Molecular Formula: C7H4F3NO2 Molecular Weight (g/mol): 191.11 MDL Number: MFCD00007145 InChI Key: NDZJSUCUYPZXPR-UHFFFAOYSA-N Synonym: 2-nitrobenzotrifluoride,1-nitro-2-trifluoromethyl benzene,o-nitrobenzotrifluoride,2-nitro-alpha,alpha,alpha-trifluorotoluene,o-trifluoromethyl nitrobenzene,benzene, 1-nitro-2-trifluoromethyl,unii-ovb3l8givj,ccris 2813,benzene, nitro trifluoromethyl,ovb3l8givj PubChem CID: 9795 IUPAC Name: 1-nitro-2-(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=CC=CC=C1C(F)(F)F
| PubChem CID | 9795 |
|---|---|
| CAS | 384-22-5 |
| Molecular Weight (g/mol) | 191.11 |
| MDL Number | MFCD00007145 |
| SMILES | [O-][N+](=O)C1=CC=CC=C1C(F)(F)F |
| Synonym | 2-nitrobenzotrifluoride,1-nitro-2-trifluoromethyl benzene,o-nitrobenzotrifluoride,2-nitro-alpha,alpha,alpha-trifluorotoluene,o-trifluoromethyl nitrobenzene,benzene, 1-nitro-2-trifluoromethyl,unii-ovb3l8givj,ccris 2813,benzene, nitro trifluoromethyl,ovb3l8givj |
| IUPAC Name | 1-nitro-2-(trifluoromethyl)benzene |
| InChI Key | NDZJSUCUYPZXPR-UHFFFAOYSA-N |
| Molecular Formula | C7H4F3NO2 |
| CAS | 1013-88-3 |
|---|---|
| Molecular Weight (g/mol) | 181.23 g/mol |
2-(Diphenylphosphino)benzaldehyde, 97%
CAS: 50777-76-9 Molecular Formula: C19H15OP Molecular Weight (g/mol): 290.30 MDL Number: MFCD00013367 InChI Key: DRCPJRZHAJMWOU-UHFFFAOYSA-N Synonym: 2-diphenylphosphino benzaldehyde,2-diphenylphosphinobenzaldehyde,o-diphenylphosphino benzaldehyde,2-formylphenyl diphenylphosphine,2-diphenylphosphanyl benzaldehyde,benzaldehyde, 2-diphenylphosphino,dppbde,zlchem 984,2-formylphenyldiphenylphosphine PubChem CID: 2754316 IUPAC Name: 2-diphenylphosphanylbenzaldehyde SMILES: O=CC1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2754316 |
|---|---|
| CAS | 50777-76-9 |
| Molecular Weight (g/mol) | 290.30 |
| MDL Number | MFCD00013367 |
| SMILES | O=CC1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 2-diphenylphosphino benzaldehyde,2-diphenylphosphinobenzaldehyde,o-diphenylphosphino benzaldehyde,2-formylphenyl diphenylphosphine,2-diphenylphosphanyl benzaldehyde,benzaldehyde, 2-diphenylphosphino,dppbde,zlchem 984,2-formylphenyldiphenylphosphine |
| IUPAC Name | 2-diphenylphosphanylbenzaldehyde |
| InChI Key | DRCPJRZHAJMWOU-UHFFFAOYSA-N |
| Molecular Formula | C19H15OP |
3-Bromostyrene, 97%, stabilized
CAS: 2039-86-3 Molecular Formula: C8H7Br Molecular Weight (g/mol): 183.05 InChI Key: KQJQPCJDKBKSLV-UHFFFAOYSA-N Synonym: 3-bromostyrene,1-bromo-3-vinylbenzene,m-bromostyrene,benzene, 1-bromo-3-ethenyl,1-bromo-3-vinyl-benzene,unii-6xe3sf241y,3-bromo-styrene,pubchem23859,acmc-1cmdc,1-bromo-3-vinylbenzene # PubChem CID: 74870 IUPAC Name: 1-bromo-3-ethenylbenzene SMILES: C=CC1=CC(=CC=C1)Br
| PubChem CID | 74870 |
|---|---|
| CAS | 2039-86-3 |
| Molecular Weight (g/mol) | 183.05 |
| SMILES | C=CC1=CC(=CC=C1)Br |
| Synonym | 3-bromostyrene,1-bromo-3-vinylbenzene,m-bromostyrene,benzene, 1-bromo-3-ethenyl,1-bromo-3-vinyl-benzene,unii-6xe3sf241y,3-bromo-styrene,pubchem23859,acmc-1cmdc,1-bromo-3-vinylbenzene # |
| IUPAC Name | 1-bromo-3-ethenylbenzene |
| InChI Key | KQJQPCJDKBKSLV-UHFFFAOYSA-N |
| Molecular Formula | C8H7Br |
3,4-Difluorophenylboronic acid, 97%, Thermo Scientific Chemicals
CAS: 168267-41-2 Molecular Formula: C6H5BF2O2 Molecular Weight (g/mol): 157.91 MDL Number: MFCD00807405 InChI Key: RMGYQBHKEWWTOY-UHFFFAOYSA-N Synonym: 3,4-difluorophenyl boronic acid,3,4-difluorobenzeneboronic acid,3,4-difluorophenyl boranediol,3,4-fluorobenzene boronic acid,3,4-difluorophenylbornic acid,3,4-difluoro phenylboric acid,3,4-difluorobenzenebornoic acid,3,4-difluoro phenylboronic acid,boronic acid, 3,4-difluorophenyl PubChem CID: 2734337 IUPAC Name: (3,4-difluorophenyl)boronic acid SMILES: OB(O)C1=CC=C(F)C(F)=C1
| PubChem CID | 2734337 |
|---|---|
| CAS | 168267-41-2 |
| Molecular Weight (g/mol) | 157.91 |
| MDL Number | MFCD00807405 |
| SMILES | OB(O)C1=CC=C(F)C(F)=C1 |
| Synonym | 3,4-difluorophenyl boronic acid,3,4-difluorobenzeneboronic acid,3,4-difluorophenyl boranediol,3,4-fluorobenzene boronic acid,3,4-difluorophenylbornic acid,3,4-difluoro phenylboric acid,3,4-difluorobenzenebornoic acid,3,4-difluoro phenylboronic acid,boronic acid, 3,4-difluorophenyl |
| IUPAC Name | (3,4-difluorophenyl)boronic acid |
| InChI Key | RMGYQBHKEWWTOY-UHFFFAOYSA-N |
| Molecular Formula | C6H5BF2O2 |
4-Fluorophenethyl bromide, 97%
CAS: 332-42-3 Molecular Formula: C8H8BrF Molecular Weight (g/mol): 203.05 MDL Number: MFCD03844794 InChI Key: FLRUNCJXOVYWDH-UHFFFAOYSA-N Synonym: 1-2-bromoethyl-4-fluorobenzene,1-fluoro-4-2-bromoethyl benzene,4-fluorophenethyl bromide,2-4-fluorophenyl ethyl bromide,1-bromo-2-4-fluorophenyl ethane,2-4-fluorophenyl ethylbromide,4-fluorophenylethyl bromide,1-2-bromo-ethyl-4-fluoro-benzene,benzene, 1-2-bromoethyl-4-fluoro,1-2-bromoethyl-4-fluoro-benzene PubChem CID: 573153 IUPAC Name: 1-(2-bromoethyl)-4-fluorobenzene SMILES: FC1=CC=C(CCBr)C=C1
| PubChem CID | 573153 |
|---|---|
| CAS | 332-42-3 |
| Molecular Weight (g/mol) | 203.05 |
| MDL Number | MFCD03844794 |
| SMILES | FC1=CC=C(CCBr)C=C1 |
| Synonym | 1-2-bromoethyl-4-fluorobenzene,1-fluoro-4-2-bromoethyl benzene,4-fluorophenethyl bromide,2-4-fluorophenyl ethyl bromide,1-bromo-2-4-fluorophenyl ethane,2-4-fluorophenyl ethylbromide,4-fluorophenylethyl bromide,1-2-bromo-ethyl-4-fluoro-benzene,benzene, 1-2-bromoethyl-4-fluoro,1-2-bromoethyl-4-fluoro-benzene |
| IUPAC Name | 1-(2-bromoethyl)-4-fluorobenzene |
| InChI Key | FLRUNCJXOVYWDH-UHFFFAOYSA-N |
| Molecular Formula | C8H8BrF |
Benzyl alcohol, 98+%, Extra Dry, AcroSeal™
CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1
| PubChem CID | 244 |
|---|---|
| CAS | 100-51-6 |
| Molecular Weight (g/mol) | 108.14 |
| ChEBI | CHEBI:17987 |
| MDL Number | MFCD00004599,MFCD03792087 |
| SMILES | OCC1=CC=CC=C1 |
| Synonym | benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol |
| IUPAC Name | phenylmethanol |
| InChI Key | WVDDGKGOMKODPV-UHFFFAOYSA-N |
| Molecular Formula | C7H8O |
4-Bromo-2-iodoaniline, 97%
CAS: 66416-72-6 Molecular Formula: C6H5BrIN Molecular Weight (g/mol): 297.91 MDL Number: MFCD02093764 InChI Key: HHTYEQWCHQEJNV-UHFFFAOYSA-N Synonym: 4-bromo-2-iodo-phenylamine,4-bromo-2-iodobenzenamine,2-iodo-4-bromoaniline,benzenamine,4-bromo-2-iodo,benzenamine, 4-bromo-2-iodo,pubchem3784,acmc-1b9hb,4-bromo-2-iodophenylamine,asischem t54343,4-bromo-2-iodo-benzenamine PubChem CID: 823934 IUPAC Name: 4-bromo-2-iodoaniline SMILES: C1=CC(=C(C=C1Br)I)N
| PubChem CID | 823934 |
|---|---|
| CAS | 66416-72-6 |
| Molecular Weight (g/mol) | 297.91 |
| MDL Number | MFCD02093764 |
| SMILES | C1=CC(=C(C=C1Br)I)N |
| Synonym | 4-bromo-2-iodo-phenylamine,4-bromo-2-iodobenzenamine,2-iodo-4-bromoaniline,benzenamine,4-bromo-2-iodo,benzenamine, 4-bromo-2-iodo,pubchem3784,acmc-1b9hb,4-bromo-2-iodophenylamine,asischem t54343,4-bromo-2-iodo-benzenamine |
| IUPAC Name | 4-bromo-2-iodoaniline |
| InChI Key | HHTYEQWCHQEJNV-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrIN |
Phenylglyoxylic acid, 98%
CAS: 611-73-4 Molecular Formula: C8H6O3 Molecular Weight (g/mol): 150.13 MDL Number: MFCD00002575 InChI Key: FAQJJMHZNSSFSM-UHFFFAOYSA-N Synonym: benzoylformic acid,phenylglyoxylic acid,oxophenylacetic acid,benzeneglyoxylic acid,phenylgloxylic acid,2-phenylethanoic acid,oxo phenyl acetic acid,benzoylformate,phenylglyoxalate,phenyloxoacetic acid PubChem CID: 11915 ChEBI: CHEBI:18280 IUPAC Name: 2-oxo-2-phenylacetic acid SMILES: OC(=O)C(=O)C1=CC=CC=C1
| PubChem CID | 11915 |
|---|---|
| CAS | 611-73-4 |
| Molecular Weight (g/mol) | 150.13 |
| ChEBI | CHEBI:18280 |
| MDL Number | MFCD00002575 |
| SMILES | OC(=O)C(=O)C1=CC=CC=C1 |
| Synonym | benzoylformic acid,phenylglyoxylic acid,oxophenylacetic acid,benzeneglyoxylic acid,phenylgloxylic acid,2-phenylethanoic acid,oxo phenyl acetic acid,benzoylformate,phenylglyoxalate,phenyloxoacetic acid |
| IUPAC Name | 2-oxo-2-phenylacetic acid |
| InChI Key | FAQJJMHZNSSFSM-UHFFFAOYSA-N |
| Molecular Formula | C8H6O3 |
Hydroxy(tosyloxy)iodobenzene, 97%
CAS: 27126-76-7 Molecular Formula: C13H13IO4S Molecular Weight (g/mol): 392.207 MDL Number: MFCD00011547 InChI Key: LRIUKPUCKCECPT-UHFFFAOYSA-N Synonym: hydroxy tosyloxy iodo benzene,htib,koser's reagent,phenyliodosohydroxy tosylate,koser reagent,unii-2eoa97b14a,hydroxy p-tolylsulfonyl oxy iodo benzene,hydroxy 4-methylbenzenesulfonato-o phenyliodine,iodosobenzene-i-mono-p-toluenesulfonate,hydroxy phenyl 4-methylbenzenesulfonoperoxoyl iodide PubChem CID: 325434 IUPAC Name: [hydroxy(phenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=CC=C2)O
| PubChem CID | 325434 |
|---|---|
| CAS | 27126-76-7 |
| Molecular Weight (g/mol) | 392.207 |
| MDL Number | MFCD00011547 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=CC=C2)O |
| Synonym | hydroxy tosyloxy iodo benzene,htib,koser's reagent,phenyliodosohydroxy tosylate,koser reagent,unii-2eoa97b14a,hydroxy p-tolylsulfonyl oxy iodo benzene,hydroxy 4-methylbenzenesulfonato-o phenyliodine,iodosobenzene-i-mono-p-toluenesulfonate,hydroxy phenyl 4-methylbenzenesulfonoperoxoyl iodide |
| IUPAC Name | [hydroxy(phenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate |
| InChI Key | LRIUKPUCKCECPT-UHFFFAOYSA-N |
| Molecular Formula | C13H13IO4S |
4-Iodobenzyl alcohol, 97%
CAS: 18282-51-4 Molecular Formula: C7H7IO Molecular Weight (g/mol): 234.036 MDL Number: MFCD01732720 InChI Key: CNQRHSZYVFYOIE-UHFFFAOYSA-N Synonym: 4-iodobenzyl alcohol,4-iodophenyl methanol,p-iodobenzyl alcohol,benzenemethanol, 4-iodo,benzyl alcohol, p-iodo,4-iodobenzylalcohol,p-iodobenzylalcohol,4-iodobenzyl-alcohol,4-iodobenzyl zlcohol,p-lodo-benzyl alcohol PubChem CID: 29012 IUPAC Name: (4-iodophenyl)methanol SMILES: C1=CC(=CC=C1CO)I
| PubChem CID | 29012 |
|---|---|
| CAS | 18282-51-4 |
| Molecular Weight (g/mol) | 234.036 |
| MDL Number | MFCD01732720 |
| SMILES | C1=CC(=CC=C1CO)I |
| Synonym | 4-iodobenzyl alcohol,4-iodophenyl methanol,p-iodobenzyl alcohol,benzenemethanol, 4-iodo,benzyl alcohol, p-iodo,4-iodobenzylalcohol,p-iodobenzylalcohol,4-iodobenzyl-alcohol,4-iodobenzyl zlcohol,p-lodo-benzyl alcohol |
| IUPAC Name | (4-iodophenyl)methanol |
| InChI Key | CNQRHSZYVFYOIE-UHFFFAOYSA-N |
| Molecular Formula | C7H7IO |
alpha-Bromo-2,6-difluorotoluene, 97%
CAS: 85118-00-9 Molecular Formula: C7H5BrF2 Molecular Weight (g/mol): 207.02 MDL Number: MFCD00000329 InChI Key: LSXJPJGBWSZHTM-UHFFFAOYSA-N Synonym: 2,6-difluorobenzyl bromide,2-bromomethyl-1,3-difluorobenzene,2,6-difluorobenzylbromide,alpha-bromo-2,6-difluorotoluene,benzene, 2-bromomethyl-1,3-difluoro,timtec-bb sbb006564,2-bromomethyl-1,3-difluoro-benzene,fr cf b1e,pubchem4915,acmc-209q4j PubChem CID: 581435 IUPAC Name: 2-(bromomethyl)-1,3-difluorobenzene SMILES: FC1=CC=CC(F)=C1CBr
| PubChem CID | 581435 |
|---|---|
| CAS | 85118-00-9 |
| Molecular Weight (g/mol) | 207.02 |
| MDL Number | MFCD00000329 |
| SMILES | FC1=CC=CC(F)=C1CBr |
| Synonym | 2,6-difluorobenzyl bromide,2-bromomethyl-1,3-difluorobenzene,2,6-difluorobenzylbromide,alpha-bromo-2,6-difluorotoluene,benzene, 2-bromomethyl-1,3-difluoro,timtec-bb sbb006564,2-bromomethyl-1,3-difluoro-benzene,fr cf b1e,pubchem4915,acmc-209q4j |
| IUPAC Name | 2-(bromomethyl)-1,3-difluorobenzene |
| InChI Key | LSXJPJGBWSZHTM-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrF2 |
5-Nitro-2-(3-phenylpropylamino)benzoic acid, 98%
CAS: 107254-86-4 Molecular Formula: C16H16N2O4 Molecular Weight (g/mol): 300.31 MDL Number: MFCD00153851 InChI Key: WBSMIPAMAXNXFS-UHFFFAOYSA-N Synonym: nppb,5-nitro-2-3-phenylpropylamino benzoic acid,unii-3a35o9g3yz,5-nitro-2-3-phenylpropyl amino benzoic acid,benzoic acid,5-nitro-2-3-phenylpropyl amino,benzoic acid, 5-nitro-2-3-phenylpropyl amino,5-nitro-2-3-phenylpropylamino-benzoic acid,5-nitro-2-phenylpropylaminobenzoic acid nppb,5-nitro-2-3-phenylpropylamino benzoic acid nppb,spectrum_001814 PubChem CID: 4549 ChEBI: CHEBI:34457 IUPAC Name: 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid SMILES: OC(=O)C1=CC(=CC=C1NCCCC1=CC=CC=C1)[N+]([O-])=O
| PubChem CID | 4549 |
|---|---|
| CAS | 107254-86-4 |
| Molecular Weight (g/mol) | 300.31 |
| ChEBI | CHEBI:34457 |
| MDL Number | MFCD00153851 |
| SMILES | OC(=O)C1=CC(=CC=C1NCCCC1=CC=CC=C1)[N+]([O-])=O |
| Synonym | nppb,5-nitro-2-3-phenylpropylamino benzoic acid,unii-3a35o9g3yz,5-nitro-2-3-phenylpropyl amino benzoic acid,benzoic acid,5-nitro-2-3-phenylpropyl amino,benzoic acid, 5-nitro-2-3-phenylpropyl amino,5-nitro-2-3-phenylpropylamino-benzoic acid,5-nitro-2-phenylpropylaminobenzoic acid nppb,5-nitro-2-3-phenylpropylamino benzoic acid nppb,spectrum_001814 |
| IUPAC Name | 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid |
| InChI Key | WBSMIPAMAXNXFS-UHFFFAOYSA-N |
| Molecular Formula | C16H16N2O4 |