Benzenoids
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{2-[3-(Dimethylamino)propoxy]phenyl}methanol, 97%, Thermo Scientific™
CAS: 14573-97-8 Molecular Formula: C12H19NO2 Molecular Weight (g/mol): 209.29 MDL Number: MFCD09064995 InChI Key: KEQGOXOOPXJVFM-UHFFFAOYSA-N Synonym: 2-3-dimethylamino propoxy phenyl methanol,2-3-dimethylamino propoxy phenyl,benzenemethanol,2-3-dimethylamino propoxy,2-3-dimethylamino propoxy phenyl methan-1-ol PubChem CID: 23401802 IUPAC Name: [2-[3-(dimethylamino)propoxy]phenyl]methanol SMILES: CN(C)CCCOC1=CC=CC=C1CO
| PubChem CID | 23401802 |
|---|---|
| CAS | 14573-97-8 |
| Molecular Weight (g/mol) | 209.29 |
| MDL Number | MFCD09064995 |
| SMILES | CN(C)CCCOC1=CC=CC=C1CO |
| Synonym | 2-3-dimethylamino propoxy phenyl methanol,2-3-dimethylamino propoxy phenyl,benzenemethanol,2-3-dimethylamino propoxy,2-3-dimethylamino propoxy phenyl methan-1-ol |
| IUPAC Name | [2-[3-(dimethylamino)propoxy]phenyl]methanol |
| InChI Key | KEQGOXOOPXJVFM-UHFFFAOYSA-N |
| Molecular Formula | C12H19NO2 |
Albuterol Sulfate, USP, 98.5-101%, Spectrum™ Chemical
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CAS: 51022-70-9 Molecular Formula: C26H44N2O10S Molecular Weight (g/mol): 576.70 InChI Key: BNPSSFBOAGDEEL-UHFFFAOYNA-N IUPAC Name: bis(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol); sulfuric acid SMILES: OS(O)(=O)=O.CC(C)(C)NCC(O)C1=CC=C(O)C(CO)=C1.CC(C)(C)NCC(O)C1=CC=C(O)C(CO)=C1
| CAS | 51022-70-9 |
|---|---|
| Molecular Weight (g/mol) | 576.70 |
| SMILES | OS(O)(=O)=O.CC(C)(C)NCC(O)C1=CC=C(O)C(CO)=C1.CC(C)(C)NCC(O)C1=CC=C(O)C(CO)=C1 |
| IUPAC Name | bis(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol); sulfuric acid |
| InChI Key | BNPSSFBOAGDEEL-UHFFFAOYNA-N |
| Molecular Formula | C26H44N2O10S |
Iodoquinol, Powder, USP, 96-100.5%, Spectrum™ Chemical
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CAS: 83-73-8 Molecular Formula: C9H5I2NO Molecular Weight (g/mol): 396.95 InChI Key: UXZFQZANDVDGMM-UHFFFAOYSA-N IUPAC Name: 5,7-diiodoquinolin-8-ol SMILES: OC1=C2N=CC=CC2=C(I)C=C1I
| CAS | 83-73-8 |
|---|---|
| Molecular Weight (g/mol) | 396.95 |
| SMILES | OC1=C2N=CC=CC2=C(I)C=C1I |
| IUPAC Name | 5,7-diiodoquinolin-8-ol |
| InChI Key | UXZFQZANDVDGMM-UHFFFAOYSA-N |
| Molecular Formula | C9H5I2NO |
2,6-Difluorophenol, 98%
CAS: 28177-48-2 Molecular Formula: C6H4F2O Molecular Weight (g/mol): 130.1 MDL Number: MFCD00002158 InChI Key: CKKOVFGIBXCEIJ-UHFFFAOYSA-N Synonym: phenol, 2,6-difluoro,2.6-difluorophenol,2,6-difluoro-phenol,2,6-difluorophenol,2,6-difluoro phenol,pubchem1495,ksc493c1n,ckkovfgibxceij-uhfffaoysa PubChem CID: 94392 IUPAC Name: 2,6-difluorophenol SMILES: C1=CC(=C(C(=C1)F)O)F
| PubChem CID | 94392 |
|---|---|
| CAS | 28177-48-2 |
| Molecular Weight (g/mol) | 130.1 |
| MDL Number | MFCD00002158 |
| SMILES | C1=CC(=C(C(=C1)F)O)F |
| Synonym | phenol, 2,6-difluoro,2.6-difluorophenol,2,6-difluoro-phenol,2,6-difluorophenol,2,6-difluoro phenol,pubchem1495,ksc493c1n,ckkovfgibxceij-uhfffaoysa |
| IUPAC Name | 2,6-difluorophenol |
| InChI Key | CKKOVFGIBXCEIJ-UHFFFAOYSA-N |
| Molecular Formula | C6H4F2O |
alpha'-Bromo-alpha,alpha,alpha-trifluoro-p-xylene, 98%
CAS: 402-49-3 Molecular Formula: C8H6BrF3 Molecular Weight (g/mol): 239.04 MDL Number: MFCD00000403 InChI Key: IKSNDOVDVVPSMA-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzyl bromide,1-bromomethyl-4-trifluoromethyl benzene,4-trifluoromethylbenzyl bromide,4-bromomethyl benzotrifluoride,p-trifluoromethylbenzyl bromide,4-trifluoromethyl benzylbromide,benzene, 1-bromomethyl-4-trifluoromethyl,4-trifluoromethylbenzylbromide,p-trifluoromethyl benzyl bromide,alpha'-bromo-alpha,alpha,alpha-trifluoro-p-xylene PubChem CID: 123062 IUPAC Name: 1-(bromomethyl)-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1CBr)C(F)(F)F
| PubChem CID | 123062 |
|---|---|
| CAS | 402-49-3 |
| Molecular Weight (g/mol) | 239.04 |
| MDL Number | MFCD00000403 |
| SMILES | C1=CC(=CC=C1CBr)C(F)(F)F |
| Synonym | 4-trifluoromethyl benzyl bromide,1-bromomethyl-4-trifluoromethyl benzene,4-trifluoromethylbenzyl bromide,4-bromomethyl benzotrifluoride,p-trifluoromethylbenzyl bromide,4-trifluoromethyl benzylbromide,benzene, 1-bromomethyl-4-trifluoromethyl,4-trifluoromethylbenzylbromide,p-trifluoromethyl benzyl bromide,alpha'-bromo-alpha,alpha,alpha-trifluoro-p-xylene |
| IUPAC Name | 1-(bromomethyl)-4-(trifluoromethyl)benzene |
| InChI Key | IKSNDOVDVVPSMA-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrF3 |
1-Bromo-4-tert-butylbenzene, 97%
CAS: 3972-65-4 Molecular Formula: C10H13Br Molecular Weight (g/mol): 213.12 MDL Number: MFCD00000108 InChI Key: XHCAGOVGSDHHNP-UHFFFAOYSA-N Synonym: 4-tert-butylbromobenzene,1-bromo-4-tert-butyl benzene,butylbromobenzene,p-bromo-tert-butylbenzene,1-bromo-4-t-butylbenzene,1-bromo-4-1,1-dimethylethyl benzene,4-tert-butyl-1-bromobenzene,p-bromo-t-butylbenzene,1-bromo-p-t-butylbenzene,4-bromo-tert-butylbenzene PubChem CID: 77595 IUPAC Name: 1-bromo-4-tert-butylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)Br
| PubChem CID | 77595 |
|---|---|
| CAS | 3972-65-4 |
| Molecular Weight (g/mol) | 213.12 |
| MDL Number | MFCD00000108 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)Br |
| Synonym | 4-tert-butylbromobenzene,1-bromo-4-tert-butyl benzene,butylbromobenzene,p-bromo-tert-butylbenzene,1-bromo-4-t-butylbenzene,1-bromo-4-1,1-dimethylethyl benzene,4-tert-butyl-1-bromobenzene,p-bromo-t-butylbenzene,1-bromo-p-t-butylbenzene,4-bromo-tert-butylbenzene |
| IUPAC Name | 1-bromo-4-tert-butylbenzene |
| InChI Key | XHCAGOVGSDHHNP-UHFFFAOYSA-N |
| Molecular Formula | C10H13Br |
Salicylamide, 99%
CAS: 65-45-2 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007978 InChI Key: SKZKKFZAGNVIMN-UHFFFAOYSA-N Synonym: salicylamide,o-hydroxybenzamide,benzamide, 2-hydroxy,salicylic acid amide,2-carbamoylphenol,flarpirina,morsarinas,algamon,algiamida,allevin PubChem CID: 5147 ChEBI: CHEBI:32114 IUPAC Name: 2-hydroxybenzamide SMILES: NC(=O)C1=CC=CC=C1O
| PubChem CID | 5147 |
|---|---|
| CAS | 65-45-2 |
| Molecular Weight (g/mol) | 137.14 |
| ChEBI | CHEBI:32114 |
| MDL Number | MFCD00007978 |
| SMILES | NC(=O)C1=CC=CC=C1O |
| Synonym | salicylamide,o-hydroxybenzamide,benzamide, 2-hydroxy,salicylic acid amide,2-carbamoylphenol,flarpirina,morsarinas,algamon,algiamida,allevin |
| IUPAC Name | 2-hydroxybenzamide |
| InChI Key | SKZKKFZAGNVIMN-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
1,3,6-Naphthalenetrisulfonic acid, sodium salt hydrate, 75%, mixture of isomers
CAS: 19437-42-4 Molecular Formula: C10H5Na3O9S3 Molecular Weight (g/mol): 434.29 MDL Number: MFCD00149263 MFCD00003989 InChI Key: NJPKYOIXTSGVAN-UHFFFAOYSA-K Synonym: 1,3,6-naphthalenetrisulfonic acid, sodium salt,1,3,6-naphthalenetrisulfonic acid, sodium salt 1:? PubChem CID: 73555608 IUPAC Name: sodium;5,7-disulfonaphthalene-2-sulfonate SMILES: [Na+].[Na+].[Na+].[O-]S(=O)(=O)C1=CC2=CC(=CC(=C2C=C1)S([O-])(=O)=O)S([O-])(=O)=O
| PubChem CID | 73555608 |
|---|---|
| CAS | 19437-42-4 |
| Molecular Weight (g/mol) | 434.29 |
| MDL Number | MFCD00149263 MFCD00003989 |
| SMILES | [Na+].[Na+].[Na+].[O-]S(=O)(=O)C1=CC2=CC(=CC(=C2C=C1)S([O-])(=O)=O)S([O-])(=O)=O |
| Synonym | 1,3,6-naphthalenetrisulfonic acid, sodium salt,1,3,6-naphthalenetrisulfonic acid, sodium salt 1:? |
| IUPAC Name | sodium;5,7-disulfonaphthalene-2-sulfonate |
| InChI Key | NJPKYOIXTSGVAN-UHFFFAOYSA-K |
| Molecular Formula | C10H5Na3O9S3 |
4-tert-Butylphenylacetylene, 96%
CAS: 772-38-3 Molecular Formula: C12H14 Molecular Weight (g/mol): 158.24 MDL Number: MFCD00190197 InChI Key: ZSYQVVKVKBVHIL-UHFFFAOYSA-N Synonym: 1-tert-butyl-4-ethynylbenzene,4-tert-butyl phenylacetylene,4-tert-butylphenylacetylene,benzene, 1-1,1-dimethylethyl-4-ethynyl,acmc-20amtx,4-t-butylphenylacetylene,4-tert-butylphenyl ethyne,4-tert.butylphenylacetylen,4-tert-butyl phenylethyne,4-tert-butylphenyl acetylene PubChem CID: 2757302 IUPAC Name: 1-tert-butyl-4-ethynylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)C#C
| PubChem CID | 2757302 |
|---|---|
| CAS | 772-38-3 |
| Molecular Weight (g/mol) | 158.24 |
| MDL Number | MFCD00190197 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C#C |
| Synonym | 1-tert-butyl-4-ethynylbenzene,4-tert-butyl phenylacetylene,4-tert-butylphenylacetylene,benzene, 1-1,1-dimethylethyl-4-ethynyl,acmc-20amtx,4-t-butylphenylacetylene,4-tert-butylphenyl ethyne,4-tert.butylphenylacetylen,4-tert-butyl phenylethyne,4-tert-butylphenyl acetylene |
| IUPAC Name | 1-tert-butyl-4-ethynylbenzene |
| InChI Key | ZSYQVVKVKBVHIL-UHFFFAOYSA-N |
| Molecular Formula | C12H14 |
4-Trifluoromethylphenylboronic acid, 98%, Thermo Scientific Chemicals
CAS: 128796-39-4 Molecular Formula: C7H6BF3O2 Molecular Weight (g/mol): 189.93 MDL Number: MFCD00151855 InChI Key: ALMFIOZYDASRRC-UHFFFAOYSA-N Synonym: 4-trifluoromethyl phenylboronic acid,4-trifluoromethylphenylboronic acid,4-trifluoromethyl benzeneboronic acid,4-trifluoromethyl phenyl boronic acid,4-trifluoromethylphenyl boronic acid,4-trifluoromethyl phenyl boranediol,4-boronobenzotrifluoride,p-trifluoromethyl phenylboronic acid,4-trifluoromethylphenyl-boronic acid PubChem CID: 2734389 IUPAC Name: [4-(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=CC=C(C=C1)C(F)(F)F
| PubChem CID | 2734389 |
|---|---|
| CAS | 128796-39-4 |
| Molecular Weight (g/mol) | 189.93 |
| MDL Number | MFCD00151855 |
| SMILES | OB(O)C1=CC=C(C=C1)C(F)(F)F |
| Synonym | 4-trifluoromethyl phenylboronic acid,4-trifluoromethylphenylboronic acid,4-trifluoromethyl benzeneboronic acid,4-trifluoromethyl phenyl boronic acid,4-trifluoromethylphenyl boronic acid,4-trifluoromethyl phenyl boranediol,4-boronobenzotrifluoride,p-trifluoromethyl phenylboronic acid,4-trifluoromethylphenyl-boronic acid |
| IUPAC Name | [4-(trifluoromethyl)phenyl]boronic acid |
| InChI Key | ALMFIOZYDASRRC-UHFFFAOYSA-N |
| Molecular Formula | C7H6BF3O2 |
3-(Bromomethyl)phenylboronic acid, 97%
CAS: 51323-43-4 Molecular Formula: C7H8BBrO2 Molecular Weight (g/mol): 214.85 MDL Number: MFCD01632207 InChI Key: ATRFDLFMCLYROQ-UHFFFAOYSA-N Synonym: 3-bromomethylphenylboronic acid,3-bromomethyl phenylboronic acid,3-bromomethyl benzeneboronic acid,3-bromomethyl phenyl boronic acid,3-bromomethylphenyl boronic acid,m-bromomethyl phenylboronic acid,boronic acid, 3-bromomethyl phenyl,pubchem7782,acmc-1aoze PubChem CID: 2773281 IUPAC Name: [3-(bromomethyl)phenyl]boronic acid SMILES: OB(O)C1=CC=CC(CBr)=C1
| PubChem CID | 2773281 |
|---|---|
| CAS | 51323-43-4 |
| Molecular Weight (g/mol) | 214.85 |
| MDL Number | MFCD01632207 |
| SMILES | OB(O)C1=CC=CC(CBr)=C1 |
| Synonym | 3-bromomethylphenylboronic acid,3-bromomethyl phenylboronic acid,3-bromomethyl benzeneboronic acid,3-bromomethyl phenyl boronic acid,3-bromomethylphenyl boronic acid,m-bromomethyl phenylboronic acid,boronic acid, 3-bromomethyl phenyl,pubchem7782,acmc-1aoze |
| IUPAC Name | [3-(bromomethyl)phenyl]boronic acid |
| InChI Key | ATRFDLFMCLYROQ-UHFFFAOYSA-N |
| Molecular Formula | C7H8BBrO2 |
4-Benzyloxy-1-butanol, 97%
CAS: 4541-14-4 Molecular Formula: C11H16O2 Molecular Weight (g/mol): 180.25 MDL Number: MFCD00155211 InChI Key: TYROJDFHUXSBHC-UHFFFAOYSA-N Synonym: 4-benzyloxy butan-1-ol,4-benzyloxy-1-butanol,1-butanol, 4-phenylmethoxy,1-butanol, 4-benzyloxy,4-benyloxybutanol,4-benzyloxybutanol,4-benzyloxybutan-1-ol,4-benzyloxybutyl alcohol,acmc-1agsb PubChem CID: 562212 IUPAC Name: 4-phenylmethoxybutan-1-ol SMILES: C1=CC=C(C=C1)COCCCCO
| PubChem CID | 562212 |
|---|---|
| CAS | 4541-14-4 |
| Molecular Weight (g/mol) | 180.25 |
| MDL Number | MFCD00155211 |
| SMILES | C1=CC=C(C=C1)COCCCCO |
| Synonym | 4-benzyloxy butan-1-ol,4-benzyloxy-1-butanol,1-butanol, 4-phenylmethoxy,1-butanol, 4-benzyloxy,4-benyloxybutanol,4-benzyloxybutanol,4-benzyloxybutan-1-ol,4-benzyloxybutyl alcohol,acmc-1agsb |
| IUPAC Name | 4-phenylmethoxybutan-1-ol |
| InChI Key | TYROJDFHUXSBHC-UHFFFAOYSA-N |
| Molecular Formula | C11H16O2 |
2-(3,5-Difluorophenyl)acetonitrile, 97%, Thermo Scientific™
CAS: 122376-76-5 Molecular Formula: C8H5F2N Molecular Weight (g/mol): 153.132 MDL Number: MFCD00061278 InChI Key: OBMYMTSBABEPIB-UHFFFAOYSA-N Synonym: 3,5-difluorophenylacetonitrile,2-3,5-difluorophenyl acetonitrile,3,5-difluorobenzyl cyanide,3,5-difluorobenzylcyanide,benzeneacetonitrile, 3,5-difluoro,3,5-difluorophenyl acetonitrile,2-3,5-difluorophenyl ethanenitrile,pubchem1588,acmc-1bxc0 PubChem CID: 518565 IUPAC Name: 2-(3,5-difluorophenyl)acetonitrile SMILES: C1=C(C=C(C=C1F)F)CC#N
| PubChem CID | 518565 |
|---|---|
| CAS | 122376-76-5 |
| Molecular Weight (g/mol) | 153.132 |
| MDL Number | MFCD00061278 |
| SMILES | C1=C(C=C(C=C1F)F)CC#N |
| Synonym | 3,5-difluorophenylacetonitrile,2-3,5-difluorophenyl acetonitrile,3,5-difluorobenzyl cyanide,3,5-difluorobenzylcyanide,benzeneacetonitrile, 3,5-difluoro,3,5-difluorophenyl acetonitrile,2-3,5-difluorophenyl ethanenitrile,pubchem1588,acmc-1bxc0 |
| IUPAC Name | 2-(3,5-difluorophenyl)acetonitrile |
| InChI Key | OBMYMTSBABEPIB-UHFFFAOYSA-N |
| Molecular Formula | C8H5F2N |
3,5-Bis(trifluoromethyl)aniline, 98%
CAS: 328-74-5 Molecular Formula: C8H5F6N Molecular Weight (g/mol): 229.125 MDL Number: MFCD00000394 InChI Key: CDIDGWDGQGVCIB-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl aniline,3,5-di trifluoromethyl aniline,benzenamine, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl benzenamine,3',5'-bis-trifluoromethyl aniline,3,5-bis-trifluoromethylaniline,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylidine,3,5-bis-trifluoromethyl-phenylamine,aniline, 3,5-bis trifluoromethyl PubChem CID: 9480 IUPAC Name: 3,5-bis(trifluoromethyl)aniline SMILES: C1=C(C=C(C=C1C(F)(F)F)N)C(F)(F)F
| PubChem CID | 9480 |
|---|---|
| CAS | 328-74-5 |
| Molecular Weight (g/mol) | 229.125 |
| MDL Number | MFCD00000394 |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)N)C(F)(F)F |
| Synonym | 3,5-bis trifluoromethyl aniline,3,5-di trifluoromethyl aniline,benzenamine, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl benzenamine,3',5'-bis-trifluoromethyl aniline,3,5-bis-trifluoromethylaniline,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylidine,3,5-bis-trifluoromethyl-phenylamine,aniline, 3,5-bis trifluoromethyl |
| IUPAC Name | 3,5-bis(trifluoromethyl)aniline |
| InChI Key | CDIDGWDGQGVCIB-UHFFFAOYSA-N |
| Molecular Formula | C8H5F6N |
Orcein, for analysis
CAS: 1400-62-0 Molecular Formula: C28H24N2O7 Molecular Weight (g/mol): 500.507 MDL Number: MFCD00062310 InChI Key: VPEASJIRGSVXBF-UHFFFAOYSA-N Synonym: orcein,pacein,2,8-bis 2,4-dihydroxy-6-methyl-anilino-1,9-dimethyl-dibenzofuran-3,7-dione,2,8-bis 2,4-dihydroxy-6-methylanilino-1,9-dimethyldibenzo b,d furan-3,7-dione,unii-655waw52f4,orcein 1g,c.i. natural red 28,ncistruc1_000110,ncistruc2_001941,2,4-dihydroxy-6-methylphenylamino-1,9-dimethyldibenzo b,d furan-3,7-dione PubChem CID: 5386447 IUPAC Name: 2,8-bis(2,4-dihydroxy-6-methylanilino)-1,9-dimethyldibenzofuran-3,7-dione SMILES: CC1=CC(=CC(=C1NC2=C(C3=C4C(=C(C(=O)C=C4OC3=CC2=O)NC5=C(C=C(C=C5C)O)O)C)C)O)O
| PubChem CID | 5386447 |
|---|---|
| CAS | 1400-62-0 |
| Molecular Weight (g/mol) | 500.507 |
| MDL Number | MFCD00062310 |
| SMILES | CC1=CC(=CC(=C1NC2=C(C3=C4C(=C(C(=O)C=C4OC3=CC2=O)NC5=C(C=C(C=C5C)O)O)C)C)O)O |
| Synonym | orcein,pacein,2,8-bis 2,4-dihydroxy-6-methyl-anilino-1,9-dimethyl-dibenzofuran-3,7-dione,2,8-bis 2,4-dihydroxy-6-methylanilino-1,9-dimethyldibenzo b,d furan-3,7-dione,unii-655waw52f4,orcein 1g,c.i. natural red 28,ncistruc1_000110,ncistruc2_001941,2,4-dihydroxy-6-methylphenylamino-1,9-dimethyldibenzo b,d furan-3,7-dione |
| IUPAC Name | 2,8-bis(2,4-dihydroxy-6-methylanilino)-1,9-dimethyldibenzofuran-3,7-dione |
| InChI Key | VPEASJIRGSVXBF-UHFFFAOYSA-N |
| Molecular Formula | C28H24N2O7 |