Benzene and substituted derivatives
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Octocrylene, 95%, Spectrum™ Chemical
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CAS: 6197-30-4 Molecular Formula: C24H27NO2 Molecular Weight (g/mol): 361.49 MDL Number: MFCD00059260 InChI Key: FMJSMJQBSVNSBF-UHFFFAOYNA-N IUPAC Name: 2-ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate SMILES: CCCCC(CC)COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1
| CAS | 6197-30-4 |
|---|---|
| Molecular Weight (g/mol) | 361.49 |
| MDL Number | MFCD00059260 |
| SMILES | CCCCC(CC)COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1 |
| IUPAC Name | 2-ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate |
| InChI Key | FMJSMJQBSVNSBF-UHFFFAOYNA-N |
| Molecular Formula | C24H27NO2 |
Sulfasalazine, USP, 97-101.5%, Spectrum™ Chemical
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CAS: 599-79-1 Molecular Formula: C18H14N4O5S Molecular Weight (g/mol): 398.39 InChI Key: OQANPHBRHBJGNZ-BKUYFWCQSA-N IUPAC Name: (3Z)-6-oxo-3-(2-{4-[(pyridin-2-yl)sulfamoyl]phenyl}hydrazin-1-ylidene)cyclohexa-1,4-diene-1-carboxylic acid SMILES: OC(=O)C1=C\C(C=CC1=O)=N/NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1
| CAS | 599-79-1 |
|---|---|
| Molecular Weight (g/mol) | 398.39 |
| SMILES | OC(=O)C1=C\C(C=CC1=O)=N/NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1 |
| IUPAC Name | (3Z)-6-oxo-3-(2-{4-[(pyridin-2-yl)sulfamoyl]phenyl}hydrazin-1-ylidene)cyclohexa-1,4-diene-1-carboxylic acid |
| InChI Key | OQANPHBRHBJGNZ-BKUYFWCQSA-N |
| Molecular Formula | C18H14N4O5S |
Spectrum Chemical Manufacturing Corporation 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 |
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 |
N-(3-Aminopropyl)Cyclohexylamine, Spectrum™ Chemical
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CAS: 3312-60-5
| CAS | 3312-60-5 |
|---|
Triclosan, USP, 97-103%, Spectrum™ Chemical
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CAS: 3380-34-5 Molecular Formula: C12H7Cl3O2 Molecular Weight (g/mol): 289.54 InChI Key: XEFQLINVKFYRCS-UHFFFAOYSA-N IUPAC Name: 5-chloro-2-(2,4-dichlorophenoxy)phenol SMILES: OC1=CC(Cl)=CC=C1OC1=CC=C(Cl)C=C1Cl
| CAS | 3380-34-5 |
|---|---|
| Molecular Weight (g/mol) | 289.54 |
| SMILES | OC1=CC(Cl)=CC=C1OC1=CC=C(Cl)C=C1Cl |
| IUPAC Name | 5-chloro-2-(2,4-dichlorophenoxy)phenol |
| InChI Key | XEFQLINVKFYRCS-UHFFFAOYSA-N |
| Molecular Formula | C12H7Cl3O2 |
Acetone, Electronic/Cleanroom Grade, 99.5%, Spectrum™ Chemical
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CAS: 67-64-1 Molecular Formula: C3H6O Molecular Weight (g/mol): 58.08 MDL Number: MFCD00008765 InChI Key: CSCPPACGZOOCGX-UHFFFAOYSA-N IUPAC Name: propan-2-one SMILES: CC(C)=O
| CAS | 67-64-1 |
|---|---|
| Molecular Weight (g/mol) | 58.08 |
| MDL Number | MFCD00008765 |
| SMILES | CC(C)=O |
| IUPAC Name | propan-2-one |
| InChI Key | CSCPPACGZOOCGX-UHFFFAOYSA-N |
| Molecular Formula | C3H6O |
Methyltriphenylphosphonium Iodide, Spectrum™ Chemical
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CAS: 2065-66-9
| CAS | 2065-66-9 |
|---|
Benzyl Alcohol, NF, EP, bioCERTIFIED, 98-100.5%, Spectrum™ Chemical
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CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1
| CAS | 100-51-6 |
|---|---|
| Molecular Weight (g/mol) | 108.14 |
| MDL Number | MFCD00004599,MFCD03792087 |
| SMILES | OCC1=CC=CC=C1 |
| IUPAC Name | phenylmethanol |
| InChI Key | WVDDGKGOMKODPV-UHFFFAOYSA-N |
| Molecular Formula | C7H8O |
1-Bromo-3,5-dimethoxybenzene, 97%
CAS: 20469-65-2 Molecular Formula: C8H9BrO2 Molecular Weight (g/mol): 217.06 MDL Number: MFCD06200685 InChI Key: KRWRFIMBWRVMKE-UHFFFAOYSA-N Synonym: 3,5-dimethoxybromobenzene,benzene, 1-bromo-3,5-dimethoxy,1,3-dimethoxy-5-bromobenzene,1-bromo-3,5-dimethoxy-benzene,1-bromo-3,5-dimethox,3,5-dimethoxy-bromobenzene,bromo-3,5-dimethoxybenzene,3,5-dimethoxy bromobenzene,acmc-1cs59,ksc495e7l PubChem CID: 639187 IUPAC Name: 1-bromo-3,5-dimethoxybenzene SMILES: COC1=CC(OC)=CC(Br)=C1
| PubChem CID | 639187 |
|---|---|
| CAS | 20469-65-2 |
| Molecular Weight (g/mol) | 217.06 |
| MDL Number | MFCD06200685 |
| SMILES | COC1=CC(OC)=CC(Br)=C1 |
| Synonym | 3,5-dimethoxybromobenzene,benzene, 1-bromo-3,5-dimethoxy,1,3-dimethoxy-5-bromobenzene,1-bromo-3,5-dimethoxy-benzene,1-bromo-3,5-dimethox,3,5-dimethoxy-bromobenzene,bromo-3,5-dimethoxybenzene,3,5-dimethoxy bromobenzene,acmc-1cs59,ksc495e7l |
| IUPAC Name | 1-bromo-3,5-dimethoxybenzene |
| InChI Key | KRWRFIMBWRVMKE-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrO2 |
Dicumyl peroxide, 98%
CAS: 80-43-3 Molecular Formula: C18H22O2 Molecular Weight (g/mol): 270.372 MDL Number: MFCD00036227 InChI Key: XMNIXWIUMCBBBL-UHFFFAOYSA-N Synonym: dicumyl peroxide,cumene peroxide,cumyl peroxide,percumyl d,perkadox b,diisopropylbenzene peroxide,perkadox bc,perkadox sb,dicumenyl peroxide,peroxide, bis 1-methyl-1-phenylethyl PubChem CID: 6641 IUPAC Name: 2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene SMILES: CC(C)(C1=CC=CC=C1)OOC(C)(C)C2=CC=CC=C2
| PubChem CID | 6641 |
|---|---|
| CAS | 80-43-3 |
| Molecular Weight (g/mol) | 270.372 |
| MDL Number | MFCD00036227 |
| SMILES | CC(C)(C1=CC=CC=C1)OOC(C)(C)C2=CC=CC=C2 |
| Synonym | dicumyl peroxide,cumene peroxide,cumyl peroxide,percumyl d,perkadox b,diisopropylbenzene peroxide,perkadox bc,perkadox sb,dicumenyl peroxide,peroxide, bis 1-methyl-1-phenylethyl |
| IUPAC Name | 2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene |
| InChI Key | XMNIXWIUMCBBBL-UHFFFAOYSA-N |
| Molecular Formula | C18H22O2 |
Methyl 2-fluoro-4-hydroxybenzoate, 98%
CAS: 197507-22-5 Molecular Formula: C8H7FO3 Molecular Weight (g/mol): 170.139 MDL Number: MFCD09038282 InChI Key: WYSPMXSNCAFCFV-UHFFFAOYSA-N Synonym: 2-fluoro-4-hydroxy-benzoic acid methyl ester,2-fluoro-4-hydroxybenzoic acid methyl ester,benzoic acid, 2-fluoro-4-hydroxy-, methyl ester,methyl-2-fluoro4-hydroxybenzoate,methyl2-fluoro-4-hydroxybenzoate,methyl-2-fluoro-4-hydroxybenzoate,methyl 2-fluoro-4-hydroxy-benzoate,2-fluoro-4-hyroxybenzoic acid methyl ester PubChem CID: 22463192 IUPAC Name: methyl 2-fluoro-4-hydroxybenzoate SMILES: COC(=O)C1=C(C=C(C=C1)O)F
| PubChem CID | 22463192 |
|---|---|
| CAS | 197507-22-5 |
| Molecular Weight (g/mol) | 170.139 |
| MDL Number | MFCD09038282 |
| SMILES | COC(=O)C1=C(C=C(C=C1)O)F |
| Synonym | 2-fluoro-4-hydroxy-benzoic acid methyl ester,2-fluoro-4-hydroxybenzoic acid methyl ester,benzoic acid, 2-fluoro-4-hydroxy-, methyl ester,methyl-2-fluoro4-hydroxybenzoate,methyl2-fluoro-4-hydroxybenzoate,methyl-2-fluoro-4-hydroxybenzoate,methyl 2-fluoro-4-hydroxy-benzoate,2-fluoro-4-hyroxybenzoic acid methyl ester |
| IUPAC Name | methyl 2-fluoro-4-hydroxybenzoate |
| InChI Key | WYSPMXSNCAFCFV-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO3 |
GBR 12909 dihydrochloride, Thermo Scientific Chemicals
CAS: 67469-78-7 Molecular Formula: C28H34Cl2F2N2O Molecular Weight (g/mol): 523.49 MDL Number: MFCD00055193 InChI Key: MIBSKSYCRFWIRU-UHFFFAOYSA-N PubChem CID: 104920 ChEBI: CHEBI:64086 IUPAC Name: 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride SMILES: C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl.Cl
| PubChem CID | 104920 |
|---|---|
| CAS | 67469-78-7 |
| Molecular Weight (g/mol) | 523.49 |
| ChEBI | CHEBI:64086 |
| MDL Number | MFCD00055193 |
| SMILES | C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl.Cl |
| IUPAC Name | 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride |
| InChI Key | MIBSKSYCRFWIRU-UHFFFAOYSA-N |
| Molecular Formula | C28H34Cl2F2N2O |
(+/-)-Atenolol
CAS: 29122-68-7 Molecular Formula: C14H22N2O3 Molecular Weight (g/mol): 266.341 MDL Number: MFCD00057645 InChI Key: METKIMKYRPQLGS-UHFFFAOYSA-N Synonym: atenolol,tenormin,tenormine,normiten,blokium,prenormine,tenoblock,atehexal,betablok,cuxanorm PubChem CID: 2249 ChEBI: CHEBI:2904 IUPAC Name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide SMILES: CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O
| PubChem CID | 2249 |
|---|---|
| CAS | 29122-68-7 |
| Molecular Weight (g/mol) | 266.341 |
| ChEBI | CHEBI:2904 |
| MDL Number | MFCD00057645 |
| SMILES | CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O |
| Synonym | atenolol,tenormin,tenormine,normiten,blokium,prenormine,tenoblock,atehexal,betablok,cuxanorm |
| IUPAC Name | 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide |
| InChI Key | METKIMKYRPQLGS-UHFFFAOYSA-N |
| Molecular Formula | C14H22N2O3 |
Flunarizine dihydrochloride, 99%
CAS: 30484-77-6 Molecular Formula: C26H28Cl2F2N2 Molecular Weight (g/mol): 477.42 MDL Number: MFCD00058198 InChI Key: RXKMOPXNWTYEHI-RDRKJGRWSA-N Synonym: flunarizine dihydrochloride,flunarizine hydrochloride,flunarizine 2hcl,flunarizine hcl,flunarizine hydrochloride usan:jan,1-bis 4-fluorophenyl methyl-4-cinnamylpiperazine dihydrochloride,e-1-bis-p-fluorophenyl methyl-4-cinnamylpiperazine dihydrochloride,e-1-bis 4-fluorophenyl methyl-4-3-phenyl-2-propenyl piperazine dihydrochloride,e-1-bis 4-fluorophenyl methyl-4-cinnamylpiperazine dihydrochloride PubChem CID: 5282407 IUPAC Name: dihydrogen 1-[bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine dichloride SMILES: [H+].[H+].[Cl-].[Cl-].FC1=CC=C(C=C1)C(N1CCN(C\C=C\C2=CC=CC=C2)CC1)C1=CC=C(F)C=C1
| PubChem CID | 5282407 |
|---|---|
| CAS | 30484-77-6 |
| Molecular Weight (g/mol) | 477.42 |
| MDL Number | MFCD00058198 |
| SMILES | [H+].[H+].[Cl-].[Cl-].FC1=CC=C(C=C1)C(N1CCN(C\C=C\C2=CC=CC=C2)CC1)C1=CC=C(F)C=C1 |
| Synonym | flunarizine dihydrochloride,flunarizine hydrochloride,flunarizine 2hcl,flunarizine hcl,flunarizine hydrochloride usan:jan,1-bis 4-fluorophenyl methyl-4-cinnamylpiperazine dihydrochloride,e-1-bis-p-fluorophenyl methyl-4-cinnamylpiperazine dihydrochloride,e-1-bis 4-fluorophenyl methyl-4-3-phenyl-2-propenyl piperazine dihydrochloride,e-1-bis 4-fluorophenyl methyl-4-cinnamylpiperazine dihydrochloride |
| IUPAC Name | dihydrogen 1-[bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine dichloride |
| InChI Key | RXKMOPXNWTYEHI-RDRKJGRWSA-N |
| Molecular Formula | C26H28Cl2F2N2 |