Benzene and substituted derivatives
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2-Chloro-5-nitrobenzophenone, 98%
CAS: 34052-37-4 Molecular Formula: C13H8ClNO3 Molecular Weight (g/mol): 261.661 MDL Number: MFCD00007295 InChI Key: HRPHZUAPQWJPCZ-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrobenzophenone,2-chloro-5-nitrophenyl phenyl methanone,2-chloro-5-nitrophenyl-phenylmethanone,2-chloro-5-nitrophenyl phenyl ketone,acmc-1aifx,methanone, 2-chloro-5-nitrophenyl phenyl,5-nitro-2-chlorobenzophenone,2-chloro-5-nitro-benzophenone,hrphzuapqwjpcz-uhfffaoysa PubChem CID: 118591 IUPAC Name: (2-chloro-5-nitrophenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl
| PubChem CID | 118591 |
|---|---|
| CAS | 34052-37-4 |
| Molecular Weight (g/mol) | 261.661 |
| MDL Number | MFCD00007295 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl |
| Synonym | 2-chloro-5-nitrobenzophenone,2-chloro-5-nitrophenyl phenyl methanone,2-chloro-5-nitrophenyl-phenylmethanone,2-chloro-5-nitrophenyl phenyl ketone,acmc-1aifx,methanone, 2-chloro-5-nitrophenyl phenyl,5-nitro-2-chlorobenzophenone,2-chloro-5-nitro-benzophenone,hrphzuapqwjpcz-uhfffaoysa |
| IUPAC Name | (2-chloro-5-nitrophenyl)-phenylmethanone |
| InChI Key | HRPHZUAPQWJPCZ-UHFFFAOYSA-N |
| Molecular Formula | C13H8ClNO3 |
2-Methyl-5-(trifluoromethoxy)benzylamine, 96%, Thermo Scientific Chemicals
CAS: 1373920-87-6 Molecular Formula: C9H10F3NO Molecular Weight (g/mol): 205.18 MDL Number: MFCD22201056 InChI Key: HUHITEUBBNSNER-UHFFFAOYSA-N Synonym: 2-methyl-5-trifluoromethoxy benzylamine,2-methyl-5-trifluoromethoxy phenyl methanamine,1-2-methyl-5-trifluoromethoxy phenyl methanamine PubChem CID: 86277657 IUPAC Name: [2-methyl-5-(trifluoromethoxy)phenyl]methanamine SMILES: CC1=C(CN)C=C(OC(F)(F)F)C=C1
| PubChem CID | 86277657 |
|---|---|
| CAS | 1373920-87-6 |
| Molecular Weight (g/mol) | 205.18 |
| MDL Number | MFCD22201056 |
| SMILES | CC1=C(CN)C=C(OC(F)(F)F)C=C1 |
| Synonym | 2-methyl-5-trifluoromethoxy benzylamine,2-methyl-5-trifluoromethoxy phenyl methanamine,1-2-methyl-5-trifluoromethoxy phenyl methanamine |
| IUPAC Name | [2-methyl-5-(trifluoromethoxy)phenyl]methanamine |
| InChI Key | HUHITEUBBNSNER-UHFFFAOYSA-N |
| Molecular Formula | C9H10F3NO |
2,4,6-Triphenoxy-1,3,5-triazine, 96%, Thermo Scientific Chemicals
CAS: 1919-48-8 Molecular Formula: C21H15N3O3 Molecular Weight (g/mol): 357.37 MDL Number: MFCD00006048 InChI Key: IYDYVVVAQKFGBS-UHFFFAOYSA-N PubChem CID: 15973 IUPAC Name: 2,4,6-triphenoxy-1,3,5-triazine SMILES: O(C1=CC=CC=C1)C1=NC(OC2=CC=CC=C2)=NC(OC2=CC=CC=C2)=N1
| PubChem CID | 15973 |
|---|---|
| CAS | 1919-48-8 |
| Molecular Weight (g/mol) | 357.37 |
| MDL Number | MFCD00006048 |
| SMILES | O(C1=CC=CC=C1)C1=NC(OC2=CC=CC=C2)=NC(OC2=CC=CC=C2)=N1 |
| IUPAC Name | 2,4,6-triphenoxy-1,3,5-triazine |
| InChI Key | IYDYVVVAQKFGBS-UHFFFAOYSA-N |
| Molecular Formula | C21H15N3O3 |
2-Hydroxy-4-methoxybenzoic acid, 98%
CAS: 2237-36-7 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002450 InChI Key: MRIXVKKOHPQOFK-UHFFFAOYSA-N Synonym: 4-methoxysalicylic acid,2-hydroxy-p-anisic acid,2-hydroxy-4-methoxy-benzoic acid,benzoic acid, 2-hydroxy-4-methoxy,2-hydroxy-4-methoxybenzoes,4-methoxysalicylicacid,pubchem18895,4-methoxy salicylic acid,4-methoxy-salicylic acid,acmc-1cs6b PubChem CID: 75231 IUPAC Name: 2-hydroxy-4-methoxybenzoic acid SMILES: COC1=CC=C(C(O)=O)C(O)=C1
| PubChem CID | 75231 |
|---|---|
| CAS | 2237-36-7 |
| Molecular Weight (g/mol) | 168.15 |
| MDL Number | MFCD00002450 |
| SMILES | COC1=CC=C(C(O)=O)C(O)=C1 |
| Synonym | 4-methoxysalicylic acid,2-hydroxy-p-anisic acid,2-hydroxy-4-methoxy-benzoic acid,benzoic acid, 2-hydroxy-4-methoxy,2-hydroxy-4-methoxybenzoes,4-methoxysalicylicacid,pubchem18895,4-methoxy salicylic acid,4-methoxy-salicylic acid,acmc-1cs6b |
| IUPAC Name | 2-hydroxy-4-methoxybenzoic acid |
| InChI Key | MRIXVKKOHPQOFK-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
Phenyl Ether-biphenyl Eutectic
CAS: 8004-13-5 Molecular Formula: C24H20O Molecular Weight (g/mol): 324.41 MDL Number: MFCD00148859 InChI Key: MHCVCKDNQYMGEX-UHFFFAOYSA-N Synonym: diphyl,dowtherm,dowtherm a,dinil,dinyl,therminol vp,phenyl ether-biphenyl mixture,phenyl ether-diphenyl mixture,biphenyl-diphenyl ether mixture,hsdb 137 PubChem CID: 24670 IUPAC Name: 1,1'-biphenyl;phenoxybenzene SMILES: C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)OC2=CC=CC=C2
| PubChem CID | 24670 |
|---|---|
| CAS | 8004-13-5 |
| Molecular Weight (g/mol) | 324.41 |
| MDL Number | MFCD00148859 |
| SMILES | C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)OC2=CC=CC=C2 |
| Synonym | diphyl,dowtherm,dowtherm a,dinil,dinyl,therminol vp,phenyl ether-biphenyl mixture,phenyl ether-diphenyl mixture,biphenyl-diphenyl ether mixture,hsdb 137 |
| IUPAC Name | 1,1'-biphenyl;phenoxybenzene |
| InChI Key | MHCVCKDNQYMGEX-UHFFFAOYSA-N |
| Molecular Formula | C24H20O |
Bromhexine hydrochloride, 98+%
CAS: 611-75-6 Molecular Formula: C14H21Br2ClN2 Molecular Weight (g/mol): 412.59 MDL Number: MFCD00056626 InChI Key: SXIVGYTWSVJOLM-UHFFFAOYNA-N Synonym: bromhexine hydrochloride,bromhexine hcl,auxit,bisolvon,broncokin,viscolyt,bromohexine hydrochloride,bromhexine chloride,quentan,unii-yc2zom3z8v PubChem CID: 5702220 ChEBI: CHEBI:31303 IUPAC Name: hydrogen 2-(1-amino-1-cyclohexylethyl)-4,6-dibromoaniline chloride SMILES: [H+].[Cl-].CC(N)(C1CCCCC1)C1=CC(Br)=CC(Br)=C1N
| PubChem CID | 5702220 |
|---|---|
| CAS | 611-75-6 |
| Molecular Weight (g/mol) | 412.59 |
| ChEBI | CHEBI:31303 |
| MDL Number | MFCD00056626 |
| SMILES | [H+].[Cl-].CC(N)(C1CCCCC1)C1=CC(Br)=CC(Br)=C1N |
| Synonym | bromhexine hydrochloride,bromhexine hcl,auxit,bisolvon,broncokin,viscolyt,bromohexine hydrochloride,bromhexine chloride,quentan,unii-yc2zom3z8v |
| IUPAC Name | hydrogen 2-(1-amino-1-cyclohexylethyl)-4,6-dibromoaniline chloride |
| InChI Key | SXIVGYTWSVJOLM-UHFFFAOYNA-N |
| Molecular Formula | C14H21Br2ClN2 |
4-Methylbenzylamine, 98%
CAS: 104-84-7 Molecular Formula: C8H11N Molecular Weight (g/mol): 121.18 MDL Number: MFCD00008123 InChI Key: HMTSWYPNXFHGEP-UHFFFAOYSA-N Synonym: 4-methylbenzylamine,benzenemethanamine, 4-methyl,p-methylbenzylamine,p-tolylmethanamine,4-methylphenyl methanamine,benzylamine, p-methyl,p-xylylamine,4-methybenzylamine,1-4-methylphenyl methanamine,4-methyl-benzylamine PubChem CID: 66035 IUPAC Name: (4-methylphenyl)methanamine SMILES: CC1=CC=C(C=C1)CN
| PubChem CID | 66035 |
|---|---|
| CAS | 104-84-7 |
| Molecular Weight (g/mol) | 121.18 |
| MDL Number | MFCD00008123 |
| SMILES | CC1=CC=C(C=C1)CN |
| Synonym | 4-methylbenzylamine,benzenemethanamine, 4-methyl,p-methylbenzylamine,p-tolylmethanamine,4-methylphenyl methanamine,benzylamine, p-methyl,p-xylylamine,4-methybenzylamine,1-4-methylphenyl methanamine,4-methyl-benzylamine |
| IUPAC Name | (4-methylphenyl)methanamine |
| InChI Key | HMTSWYPNXFHGEP-UHFFFAOYSA-N |
| Molecular Formula | C8H11N |
N-Methyl-N-[3-(1H-1,2,4-triazol-1-yl)benzyl]amine 97+%, Thermo Scientific™
CAS: 879896-43-2 Molecular Formula: C10H12N4 Molecular Weight (g/mol): 188.234 MDL Number: MFCD08435864 InChI Key: LLGQTEDUTKNYIP-UHFFFAOYSA-N Synonym: n-methyl-n-3-1h-1,2,4-triazol-1-yl benzyl amine,methyl 3-1,2,4-triazol-1-yl phenyl methyl amine,benzenemethanamine,n-methyl-3-1h-1,2,4-triazol-1-yl,methyl 3-1,2,4-triazolyl phenyl methyl amine,n-methyl-n-3-1h-1,2,4-trazol-1-yl benzyl amne,methyl 3-1h-1,2,4-triazol-1-yl phenyl methyl amine,1-3-1h-1,2,4-triazol-1-yl phenyl-n-methylmethanamine,n-methyl-1-3-1h-1,2,4-triazol-1-yl phenyl methanamine PubChem CID: 18525742 IUPAC Name: N-methyl-1-[3-(1,2,4-triazol-1-yl)phenyl]methanamine SMILES: CNCC1=CC(=CC=C1)N2C=NC=N2
| PubChem CID | 18525742 |
|---|---|
| CAS | 879896-43-2 |
| Molecular Weight (g/mol) | 188.234 |
| MDL Number | MFCD08435864 |
| SMILES | CNCC1=CC(=CC=C1)N2C=NC=N2 |
| Synonym | n-methyl-n-3-1h-1,2,4-triazol-1-yl benzyl amine,methyl 3-1,2,4-triazol-1-yl phenyl methyl amine,benzenemethanamine,n-methyl-3-1h-1,2,4-triazol-1-yl,methyl 3-1,2,4-triazolyl phenyl methyl amine,n-methyl-n-3-1h-1,2,4-trazol-1-yl benzyl amne,methyl 3-1h-1,2,4-triazol-1-yl phenyl methyl amine,1-3-1h-1,2,4-triazol-1-yl phenyl-n-methylmethanamine,n-methyl-1-3-1h-1,2,4-triazol-1-yl phenyl methanamine |
| IUPAC Name | N-methyl-1-[3-(1,2,4-triazol-1-yl)phenyl]methanamine |
| InChI Key | LLGQTEDUTKNYIP-UHFFFAOYSA-N |
| Molecular Formula | C10H12N4 |
2-Phenoxyethanol, MP Biomedicals™
CAS: 122-99-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N Synonym: phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane PubChem CID: 31236 ChEBI: CHEBI:64275 IUPAC Name: 2-phenoxyethanol SMILES: C1=CC=C(C=C1)OCCO
| PubChem CID | 31236 |
|---|---|
| CAS | 122-99-6 |
| Molecular Weight (g/mol) | 138.166 |
| ChEBI | CHEBI:64275 |
| SMILES | C1=CC=C(C=C1)OCCO |
| Synonym | phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane |
| IUPAC Name | 2-phenoxyethanol |
| InChI Key | QCDWFXQBSFUVSP-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
2-Ethoxybenzoic Acid, Spectrum™ Chemical
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CAS: 134-11-2
| CAS | 134-11-2 |
|---|
Methylparaben Sodium, NF, 95-102%, Spectrum™ Chemical
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CAS: 5026-62-0 Molecular Formula: C8H7NaO3 Molecular Weight (g/mol): 174.13 InChI Key: PESXGULMKCKJCC-UHFFFAOYSA-M IUPAC Name: sodium 4-(methoxycarbonyl)benzen-1-olate SMILES: [Na+].COC(=O)C1=CC=C([O-])C=C1
| CAS | 5026-62-0 |
|---|---|
| Molecular Weight (g/mol) | 174.13 |
| SMILES | [Na+].COC(=O)C1=CC=C([O-])C=C1 |
| IUPAC Name | sodium 4-(methoxycarbonyl)benzen-1-olate |
| InChI Key | PESXGULMKCKJCC-UHFFFAOYSA-M |
| Molecular Formula | C8H7NaO3 |
1-(2-Phenoxyphenyl)ethanone, 97%, Thermo Scientific™
CAS: 26388-13-6 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD08271961 InChI Key: KPBCVVSDGJBODL-UHFFFAOYSA-N Synonym: 1-2-phenoxyphenyl ethanone,2-acetyldiphenyl ether,1-acetyl-2-phenoxybenzene,ethanone, 1-2-phenoxyphenyl PubChem CID: 10703750 IUPAC Name: 1-(2-phenoxyphenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1OC1=CC=CC=C1
| PubChem CID | 10703750 |
|---|---|
| CAS | 26388-13-6 |
| Molecular Weight (g/mol) | 212.25 |
| MDL Number | MFCD08271961 |
| SMILES | CC(=O)C1=CC=CC=C1OC1=CC=CC=C1 |
| Synonym | 1-2-phenoxyphenyl ethanone,2-acetyldiphenyl ether,1-acetyl-2-phenoxybenzene,ethanone, 1-2-phenoxyphenyl |
| IUPAC Name | 1-(2-phenoxyphenyl)ethanone |
| InChI Key | KPBCVVSDGJBODL-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
Benzophenone, 99%, Spectrum™ Chemical
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CAS: 119-61-9
| CAS | 119-61-9 |
|---|
N-Methyl-4-[(6-methylpyrazin-2-yl)oxy]benzylamine, 95%, Thermo Scientific™
CAS: 912569-67-6 Molecular Formula: C13H15N3O Molecular Weight (g/mol): 229.28 MDL Number: MFCD09817536 InChI Key: DAHTXAIQFDPRFK-UHFFFAOYSA-N Synonym: n-methyl-4-6-methylpyrazin-2-yl oxy benzylamine,methyl 4-6-methylpyrazin-2-yl oxy phenyl methyl amine,n-methyl-1-4-6-methylpyrazin-2-yl oxy phenyl methanamine,2-methyl-6-4-methylamino methyl phenoxy pyrazine,methyl 4-6-methylpyrazin-2-yloxy phenyl methyl amine PubChem CID: 24229697 IUPAC Name: N-methyl-1-[4-(6-methylpyrazin-2-yl)oxyphenyl]methanamine SMILES: CNCC1=CC=C(OC2=NC(C)=CN=C2)C=C1
| PubChem CID | 24229697 |
|---|---|
| CAS | 912569-67-6 |
| Molecular Weight (g/mol) | 229.28 |
| MDL Number | MFCD09817536 |
| SMILES | CNCC1=CC=C(OC2=NC(C)=CN=C2)C=C1 |
| Synonym | n-methyl-4-6-methylpyrazin-2-yl oxy benzylamine,methyl 4-6-methylpyrazin-2-yl oxy phenyl methyl amine,n-methyl-1-4-6-methylpyrazin-2-yl oxy phenyl methanamine,2-methyl-6-4-methylamino methyl phenoxy pyrazine,methyl 4-6-methylpyrazin-2-yloxy phenyl methyl amine |
| IUPAC Name | N-methyl-1-[4-(6-methylpyrazin-2-yl)oxyphenyl]methanamine |
| InChI Key | DAHTXAIQFDPRFK-UHFFFAOYSA-N |
| Molecular Formula | C13H15N3O |
2-[(4-Methylpiperazin-1-yl)methyl]benzonitrile, ≥97%, Thermo Scientific™
CAS: 864069-00-1 Molecular Formula: C13H17N3 Molecular Weight (g/mol): 215.3 MDL Number: MFCD08271956 InChI Key: SZENQRLSNAOEPP-UHFFFAOYSA-N Synonym: 2-4-methylpiperazin-1-yl methyl benzonitrile,benzonitrile,2-4-methyl-1-piperazinyl methyl,2-4-methylpiperazinyl methyl benzenecarbonitrile PubChem CID: 18525814 IUPAC Name: 2-[(4-methylpiperazin-1-yl)methyl]benzonitrile SMILES: CN1CCN(CC1)CC2=CC=CC=C2C#N
| PubChem CID | 18525814 |
|---|---|
| CAS | 864069-00-1 |
| Molecular Weight (g/mol) | 215.3 |
| MDL Number | MFCD08271956 |
| SMILES | CN1CCN(CC1)CC2=CC=CC=C2C#N |
| Synonym | 2-4-methylpiperazin-1-yl methyl benzonitrile,benzonitrile,2-4-methyl-1-piperazinyl methyl,2-4-methylpiperazinyl methyl benzenecarbonitrile |
| IUPAC Name | 2-[(4-methylpiperazin-1-yl)methyl]benzonitrile |
| InChI Key | SZENQRLSNAOEPP-UHFFFAOYSA-N |
| Molecular Formula | C13H17N3 |