Benzenoids
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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 |
3-Bromo-4-methoxybenzaldehyde, 98%
CAS: 34841-06-0 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD00016599 InChI Key: QMPNFQLVIGPNEI-UHFFFAOYSA-N Synonym: 3-bromo-p-anisaldehyde,benzaldehyde, 3-bromo-4-methoxy,3-bromo-4-methoxy-benzaldehyde,3-bromoanisaldehyde,5-bromoanisaldehyde,3-bromo-anisaldehyde,5-bromo anisaldehyde,pubchem2643,acmc-209iat,2-bromo-4-formylanisole PubChem CID: 98662 IUPAC Name: 3-bromo-4-methoxybenzaldehyde SMILES: COC1=CC=C(C=O)C=C1Br
| PubChem CID | 98662 |
|---|---|
| CAS | 34841-06-0 |
| Molecular Weight (g/mol) | 215.05 |
| MDL Number | MFCD00016599 |
| SMILES | COC1=CC=C(C=O)C=C1Br |
| Synonym | 3-bromo-p-anisaldehyde,benzaldehyde, 3-bromo-4-methoxy,3-bromo-4-methoxy-benzaldehyde,3-bromoanisaldehyde,5-bromoanisaldehyde,3-bromo-anisaldehyde,5-bromo anisaldehyde,pubchem2643,acmc-209iat,2-bromo-4-formylanisole |
| IUPAC Name | 3-bromo-4-methoxybenzaldehyde |
| InChI Key | QMPNFQLVIGPNEI-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
1-[4-(Trifluoromethyl)phenyl]ethanol, 96%
CAS: 1737-26-4 Molecular Formula: C9H9F3O Molecular Weight (g/mol): 190.165 MDL Number: MFCD00039618 InChI Key: YMXIDIAEXNLCFT-UHFFFAOYSA-N Synonym: 1-4-trifluoromethyl phenyl ethanol,1-4-trifluoromethyl phenyl ethan-1-ol,a-methyl-4-trifluoromethylbenzyl alcohol,alpha-methyl-4-trifluoromethylbenzyl alcohol,alpha-methyl-4-trifluoromethyl benzyl alcohol,acmc-1boxb,1-4-trifluoromethylphenyl-ethanol,1-4-trifluoromethyl-phenyl-ethanol,alpha-methyl-4 trifluoromethyl benzyl alcohol PubChem CID: 137186 IUPAC Name: 1-[4-(trifluoromethyl)phenyl]ethanol SMILES: CC(C1=CC=C(C=C1)C(F)(F)F)O
| PubChem CID | 137186 |
|---|---|
| CAS | 1737-26-4 |
| Molecular Weight (g/mol) | 190.165 |
| MDL Number | MFCD00039618 |
| SMILES | CC(C1=CC=C(C=C1)C(F)(F)F)O |
| Synonym | 1-4-trifluoromethyl phenyl ethanol,1-4-trifluoromethyl phenyl ethan-1-ol,a-methyl-4-trifluoromethylbenzyl alcohol,alpha-methyl-4-trifluoromethylbenzyl alcohol,alpha-methyl-4-trifluoromethyl benzyl alcohol,acmc-1boxb,1-4-trifluoromethylphenyl-ethanol,1-4-trifluoromethyl-phenyl-ethanol,alpha-methyl-4 trifluoromethyl benzyl alcohol |
| IUPAC Name | 1-[4-(trifluoromethyl)phenyl]ethanol |
| InChI Key | YMXIDIAEXNLCFT-UHFFFAOYSA-N |
| Molecular Formula | C9H9F3O |
Iodobenzene, 98%
CAS: 591-50-4 Molecular Formula: C6H5I Molecular Weight (g/mol): 204.01 MDL Number: MFCD00001029 InChI Key: SNHMUERNLJLMHN-UHFFFAOYSA-N Synonym: benzene, iodo,phenyl iodide,benzene iodide,iodophenyl,iodinebenzol,iodo-benzene,phenyliodide,iodo benzene,unii-9hk5l7ybbr,1-iodobenzene PubChem CID: 11575 IUPAC Name: iodobenzene SMILES: IC1=CC=CC=C1
| PubChem CID | 11575 |
|---|---|
| CAS | 591-50-4 |
| Molecular Weight (g/mol) | 204.01 |
| MDL Number | MFCD00001029 |
| SMILES | IC1=CC=CC=C1 |
| Synonym | benzene, iodo,phenyl iodide,benzene iodide,iodophenyl,iodinebenzol,iodo-benzene,phenyliodide,iodo benzene,unii-9hk5l7ybbr,1-iodobenzene |
| IUPAC Name | iodobenzene |
| InChI Key | SNHMUERNLJLMHN-UHFFFAOYSA-N |
| Molecular Formula | C6H5I |
2,4-Dichlorobenzylamine, 98%
CAS: 95-00-1 Molecular Formula: C7H7Cl2N Molecular Weight (g/mol): 176.04 MDL Number: MFCD00008109 InChI Key: SJUKJZSTBBSGHF-UHFFFAOYSA-N Synonym: 2,4-dichlorobenzylamine,2,4-dichlorophenyl methanamine,benzenemethanamine, 2,4-dichloro,benzylamine, 2,4-dichloro,2,4-dichlorobenzyl amine,1-2,4-dichlorophenyl methanamine,2,4-dichloro-benzylamine,2,4-dichlorophenyl methylamine,o,p-dichlorobenzylamine,acmc-209rur PubChem CID: 1485 IUPAC Name: (2,4-dichlorophenyl)methanamine SMILES: NCC1=CC=C(Cl)C=C1Cl
| PubChem CID | 1485 |
|---|---|
| CAS | 95-00-1 |
| Molecular Weight (g/mol) | 176.04 |
| MDL Number | MFCD00008109 |
| SMILES | NCC1=CC=C(Cl)C=C1Cl |
| Synonym | 2,4-dichlorobenzylamine,2,4-dichlorophenyl methanamine,benzenemethanamine, 2,4-dichloro,benzylamine, 2,4-dichloro,2,4-dichlorobenzyl amine,1-2,4-dichlorophenyl methanamine,2,4-dichloro-benzylamine,2,4-dichlorophenyl methylamine,o,p-dichlorobenzylamine,acmc-209rur |
| IUPAC Name | (2,4-dichlorophenyl)methanamine |
| InChI Key | SJUKJZSTBBSGHF-UHFFFAOYSA-N |
| Molecular Formula | C7H7Cl2N |
4-Cyanophenol, 99%
CAS: 767-00-0 Molecular Formula: C7H5NO Molecular Weight (g/mol): 119.12 MDL Number: MFCD00002312 InChI Key: CVNOWLNNPYYEOH-UHFFFAOYSA-N Synonym: 4-cyanophenol,p-hydroxybenzonitrile,p-cyanophenol,benzonitrile, 4-hydroxy,benzonitrile, p-hydroxy,4-cyano phenol,4-hydroxybenzoic acid nitrile,4-hydroxy-benzonitrile,4-hydroxy benzonitrile,4-hydroxybenzenecarbonitrile PubChem CID: 13019 ChEBI: CHEBI:38622 IUPAC Name: 4-hydroxybenzonitrile SMILES: C1=CC(=CC=C1C#N)O
| PubChem CID | 13019 |
|---|---|
| CAS | 767-00-0 |
| Molecular Weight (g/mol) | 119.12 |
| ChEBI | CHEBI:38622 |
| MDL Number | MFCD00002312 |
| SMILES | C1=CC(=CC=C1C#N)O |
| Synonym | 4-cyanophenol,p-hydroxybenzonitrile,p-cyanophenol,benzonitrile, 4-hydroxy,benzonitrile, p-hydroxy,4-cyano phenol,4-hydroxybenzoic acid nitrile,4-hydroxy-benzonitrile,4-hydroxy benzonitrile,4-hydroxybenzenecarbonitrile |
| IUPAC Name | 4-hydroxybenzonitrile |
| InChI Key | CVNOWLNNPYYEOH-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO |
2,6-Dibromoaniline, 97%, Thermo Scientific Chemicals
CAS: 608-30-0 Molecular Formula: C6H5Br2N Molecular Weight (g/mol): 250.92 MDL Number: MFCD00007638 InChI Key: XIRRDAWDNHRRLB-UHFFFAOYSA-N Synonym: benzenamine, 2,6-dibromo,2,6-dibromophenylamine,2,6-dibromobenzenamine,aniline, 2,6-dibromo,2,6-dibromo-phenylamine,2,6-dibromo-aniline,acmc-1aycf,2,6-dibromoaniline,2,6-dibromo-phenyl-amine,ksc356c3l PubChem CID: 69098 IUPAC Name: 2,6-dibromoaniline SMILES: NC1=C(Br)C=CC=C1Br
| PubChem CID | 69098 |
|---|---|
| CAS | 608-30-0 |
| Molecular Weight (g/mol) | 250.92 |
| MDL Number | MFCD00007638 |
| SMILES | NC1=C(Br)C=CC=C1Br |
| Synonym | benzenamine, 2,6-dibromo,2,6-dibromophenylamine,2,6-dibromobenzenamine,aniline, 2,6-dibromo,2,6-dibromo-phenylamine,2,6-dibromo-aniline,acmc-1aycf,2,6-dibromoaniline,2,6-dibromo-phenyl-amine,ksc356c3l |
| IUPAC Name | 2,6-dibromoaniline |
| InChI Key | XIRRDAWDNHRRLB-UHFFFAOYSA-N |
| Molecular Formula | C6H5Br2N |
Triphenylene, 98%
CAS: 217-59-4 Molecular Formula: C18H12 Molecular Weight (g/mol): 228.29 MDL Number: MFCD00001108 InChI Key: SLGBZMMZGDRARJ-UHFFFAOYSA-N Synonym: 9,10-benzophenanthrene,isochrysene,9,10-benzphenanthrene,benzo l phenanthrene,1,2,3,4-dibenznaphthalene,benzophenanthrene,1,2:3,4-dibenznaphthalene,ccris 1301,triphenylen-1-yl PubChem CID: 9170 ChEBI: CHEBI:33080 IUPAC Name: triphenylene SMILES: C1=CC=C2C(=C1)C1=CC=CC=C1C1=CC=CC=C21
| PubChem CID | 9170 |
|---|---|
| CAS | 217-59-4 |
| Molecular Weight (g/mol) | 228.29 |
| ChEBI | CHEBI:33080 |
| MDL Number | MFCD00001108 |
| SMILES | C1=CC=C2C(=C1)C1=CC=CC=C1C1=CC=CC=C21 |
| Synonym | 9,10-benzophenanthrene,isochrysene,9,10-benzphenanthrene,benzo l phenanthrene,1,2,3,4-dibenznaphthalene,benzophenanthrene,1,2:3,4-dibenznaphthalene,ccris 1301,triphenylen-1-yl |
| IUPAC Name | triphenylene |
| InChI Key | SLGBZMMZGDRARJ-UHFFFAOYSA-N |
| Molecular Formula | C18H12 |
4,4'-Methylenebis(N,N-dimethylaniline), 98%
CAS: 101-61-1 Molecular Formula: C17H22N2 Molecular Weight (g/mol): 254.37 MDL Number: MFCD00008317 InChI Key: JNRLEMMIVRBKJE-UHFFFAOYSA-N Synonym: 4,4'-methylenebis n,n-dimethylaniline,tetra-base,tetrabase,michler's base,methane base,methylene base,michler's hydride,michler's methane,4,4'-bis dimethylamino diphenylmethane,reduced michler's ketone PubChem CID: 7567 ChEBI: CHEBI:34370 IUPAC Name: 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline SMILES: CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C
| PubChem CID | 7567 |
|---|---|
| CAS | 101-61-1 |
| Molecular Weight (g/mol) | 254.37 |
| ChEBI | CHEBI:34370 |
| MDL Number | MFCD00008317 |
| SMILES | CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C |
| Synonym | 4,4'-methylenebis n,n-dimethylaniline,tetra-base,tetrabase,michler's base,methane base,methylene base,michler's hydride,michler's methane,4,4'-bis dimethylamino diphenylmethane,reduced michler's ketone |
| IUPAC Name | 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline |
| InChI Key | JNRLEMMIVRBKJE-UHFFFAOYSA-N |
| Molecular Formula | C17H22N2 |
2-(4-Bromophenyl)-2-propanol, 97%
CAS: 2077-19-2 Molecular Formula: C9H11BrO Molecular Weight (g/mol): 215.09 MDL Number: MFCD11870096 InChI Key: AOGYBHJTXLXRSM-UHFFFAOYSA-N Synonym: 2-4-bromophenyl propan-2-ol,2-4-bromophenyl-2-propanol,acmc-209fdx,2-4-bromophenyl propan-2-o1,2-4-bromophenyl-propan-2-ol,2-4-bromo-phenyl propan-2-ol,2-4-bromo-phenyl-propan-2-ol,p-bromo-alpha,alpha-dimethylbenzyl alcohol,4-bromo-alpha,alpha-dimethylbenzyl alcohol PubChem CID: 12681920 IUPAC Name: 2-(4-bromophenyl)propan-2-ol SMILES: CC(C)(O)C1=CC=C(Br)C=C1
| PubChem CID | 12681920 |
|---|---|
| CAS | 2077-19-2 |
| Molecular Weight (g/mol) | 215.09 |
| MDL Number | MFCD11870096 |
| SMILES | CC(C)(O)C1=CC=C(Br)C=C1 |
| Synonym | 2-4-bromophenyl propan-2-ol,2-4-bromophenyl-2-propanol,acmc-209fdx,2-4-bromophenyl propan-2-o1,2-4-bromophenyl-propan-2-ol,2-4-bromo-phenyl propan-2-ol,2-4-bromo-phenyl-propan-2-ol,p-bromo-alpha,alpha-dimethylbenzyl alcohol,4-bromo-alpha,alpha-dimethylbenzyl alcohol |
| IUPAC Name | 2-(4-bromophenyl)propan-2-ol |
| InChI Key | AOGYBHJTXLXRSM-UHFFFAOYSA-N |
| Molecular Formula | C9H11BrO |
2-Amino-2'-chloro-5-nitrobenzophenone, 98%
CAS: 2011-66-7 Molecular Formula: C13H9ClN2O3 Molecular Weight (g/mol): 276.68 MDL Number: MFCD00792453 InChI Key: GRDGBWVSVMLKBV-UHFFFAOYSA-N Synonym: 2-amino-2'-chloro-5-nitrobenzophenone,2-amino-5-nitrophenyl 2-chlorophenyl methanone,2-amino-5-nitro-2'-chlorobenzophenone,2-amino-2'-chloro-5-nitro benzophenone,2-2-chlorobenzoyl-4-nitroaniline,methanone, 2-amino-5-nitrophenyl 2-chlorophenyl,2-amino-5-nitrophenyl-2-chlorophenyl methanone,2-amino-5-nitro-phenyl-2-chloro-phenyl-methanone,2-amino-5-nitro-2'-chloro benzophenone,pubchem3255 PubChem CID: 74830 IUPAC Name: (2-amino-5-nitrophenyl)-(2-chlorophenyl)methanone SMILES: NC1=CC=C(C=C1C(=O)C1=CC=CC=C1Cl)[N+]([O-])=O
| PubChem CID | 74830 |
|---|---|
| CAS | 2011-66-7 |
| Molecular Weight (g/mol) | 276.68 |
| MDL Number | MFCD00792453 |
| SMILES | NC1=CC=C(C=C1C(=O)C1=CC=CC=C1Cl)[N+]([O-])=O |
| Synonym | 2-amino-2'-chloro-5-nitrobenzophenone,2-amino-5-nitrophenyl 2-chlorophenyl methanone,2-amino-5-nitro-2'-chlorobenzophenone,2-amino-2'-chloro-5-nitro benzophenone,2-2-chlorobenzoyl-4-nitroaniline,methanone, 2-amino-5-nitrophenyl 2-chlorophenyl,2-amino-5-nitrophenyl-2-chlorophenyl methanone,2-amino-5-nitro-phenyl-2-chloro-phenyl-methanone,2-amino-5-nitro-2'-chloro benzophenone,pubchem3255 |
| IUPAC Name | (2-amino-5-nitrophenyl)-(2-chlorophenyl)methanone |
| InChI Key | GRDGBWVSVMLKBV-UHFFFAOYSA-N |
| Molecular Formula | C13H9ClN2O3 |
1-Benzhydryl-3-azetidinol, 97%
CAS: 18621-17-5 Molecular Formula: C16H17NO Molecular Weight (g/mol): 239.32 MDL Number: MFCD00205109 InChI Key: MMAJXKGUZYDTHV-UHFFFAOYSA-N Synonym: 1-benzhydrylazetan-3-ol,1-diphenylmethyl-3-hydroxyazetidine,1-diphenylmethyl azetidin-3-ol,1-benzhydryl-3-azetidinol,1-benzhydryl-3-hydroxyazetidine,1-benzhydryl-azetidin-3-ol,n-benzhydrylazetidin-3-ol,3-azetidinol, 1-diphenylmethyl,1-diphenylmethyl-3-azetidinol PubChem CID: 330448 IUPAC Name: 1-(diphenylmethyl)azetidin-3-ol SMILES: OC1CN(C1)C(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 330448 |
|---|---|
| CAS | 18621-17-5 |
| Molecular Weight (g/mol) | 239.32 |
| MDL Number | MFCD00205109 |
| SMILES | OC1CN(C1)C(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 1-benzhydrylazetan-3-ol,1-diphenylmethyl-3-hydroxyazetidine,1-diphenylmethyl azetidin-3-ol,1-benzhydryl-3-azetidinol,1-benzhydryl-3-hydroxyazetidine,1-benzhydryl-azetidin-3-ol,n-benzhydrylazetidin-3-ol,3-azetidinol, 1-diphenylmethyl,1-diphenylmethyl-3-azetidinol |
| IUPAC Name | 1-(diphenylmethyl)azetidin-3-ol |
| InChI Key | MMAJXKGUZYDTHV-UHFFFAOYSA-N |
| Molecular Formula | C16H17NO |
Ribonucleic acid from Baker's yeast
CAS: 63231-63-0 MDL Number: MFCD00132196 IUPAC Name: Ribonucleic acid
| CAS | 63231-63-0 |
|---|---|
| MDL Number | MFCD00132196 |
| IUPAC Name | Ribonucleic acid |
3-Phenylpropylamine, 98+%
CAS: 2038-57-5 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00008224 InChI Key: LYUQWQRTDLVQGA-UHFFFAOYSA-N Synonym: 3-phenylpropylamine,benzenepropanamine,1-amino-3-phenylpropane,hydrocinnamylamine,gamma-phenylpropylamine,3-phenyl-n-propylamine,3-phenyl-1-propylamine,3-phenyl-1-propanamine,propylamine, 3-phenyl,3-phenylpropanamine PubChem CID: 16259 IUPAC Name: 3-phenylpropan-1-amine SMILES: NCCCC1=CC=CC=C1
| PubChem CID | 16259 |
|---|---|
| CAS | 2038-57-5 |
| Molecular Weight (g/mol) | 135.21 |
| MDL Number | MFCD00008224 |
| SMILES | NCCCC1=CC=CC=C1 |
| Synonym | 3-phenylpropylamine,benzenepropanamine,1-amino-3-phenylpropane,hydrocinnamylamine,gamma-phenylpropylamine,3-phenyl-n-propylamine,3-phenyl-1-propylamine,3-phenyl-1-propanamine,propylamine, 3-phenyl,3-phenylpropanamine |
| IUPAC Name | 3-phenylpropan-1-amine |
| InChI Key | LYUQWQRTDLVQGA-UHFFFAOYSA-N |
| Molecular Formula | C9H13N |
3,4,5-Trimethoxyphenol, 97%
CAS: 642-71-7 Molecular Formula: C9H12O4 Molecular Weight (g/mol): 184.191 MDL Number: MFCD00008389 InChI Key: VTCDZPUMZAZMSB-UHFFFAOYSA-N Synonym: antiarol,phenol, 3,4,5-trimethoxy,3,4,5-trimethoxy phenol,spectrum_000525,specplus_000623,spectrum3_001208,spectrum4_001487,spectrum5_000193,3,4,5-trirnethoxyphenol,3,4,5-trimethoxy-phenol PubChem CID: 69505 ChEBI: CHEBI:2760 IUPAC Name: 3,4,5-trimethoxyphenol SMILES: COC1=CC(=CC(=C1OC)OC)O
| PubChem CID | 69505 |
|---|---|
| CAS | 642-71-7 |
| Molecular Weight (g/mol) | 184.191 |
| ChEBI | CHEBI:2760 |
| MDL Number | MFCD00008389 |
| SMILES | COC1=CC(=CC(=C1OC)OC)O |
| Synonym | antiarol,phenol, 3,4,5-trimethoxy,3,4,5-trimethoxy phenol,spectrum_000525,specplus_000623,spectrum3_001208,spectrum4_001487,spectrum5_000193,3,4,5-trirnethoxyphenol,3,4,5-trimethoxy-phenol |
| IUPAC Name | 3,4,5-trimethoxyphenol |
| InChI Key | VTCDZPUMZAZMSB-UHFFFAOYSA-N |
| Molecular Formula | C9H12O4 |