Benzenoids
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Fenofibrate, BP, EP, 98-102%, Spectrum™ Chemical
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CAS: 49562-28-9 Molecular Formula: C20H21ClO4 Molecular Weight (g/mol): 360.83 InChI Key: YMTINGFKWWXKFG-UHFFFAOYSA-N IUPAC Name: propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate SMILES: CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1
| CAS | 49562-28-9 |
|---|---|
| Molecular Weight (g/mol) | 360.83 |
| SMILES | CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1 |
| IUPAC Name | propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate |
| InChI Key | YMTINGFKWWXKFG-UHFFFAOYSA-N |
| Molecular Formula | C20H21ClO4 |
Dapsone, USP, 98-102%, Spectrum™ Chemical
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CAS: 80-08-0 Molecular Formula: C12H12N2O2S Molecular Weight (g/mol): 248.30 InChI Key: MQJKPEGWNLWLTK-UHFFFAOYSA-N IUPAC Name: 4-(4-aminobenzenesulfonyl)aniline SMILES: NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1
| CAS | 80-08-0 |
|---|---|
| Molecular Weight (g/mol) | 248.30 |
| SMILES | NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1 |
| IUPAC Name | 4-(4-aminobenzenesulfonyl)aniline |
| InChI Key | MQJKPEGWNLWLTK-UHFFFAOYSA-N |
| Molecular Formula | C12H12N2O2S |
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 |
2-Amino-5-chlorobenzophenone, 98%
CAS: 719-59-5 Molecular Formula: C13H10ClNO Molecular Weight (g/mol): 231.68 MDL Number: MFCD00007839 InChI Key: ZUWXHHBROGLWNH-UHFFFAOYSA-N Synonym: 2-amino-5-chlorobenzophenone,2-amino-5-chlorophenyl phenyl methanone,2-benzoyl-4-chloroaniline,methanone, 2-amino-5-chlorophenyl phenyl,2-amino-5-chlorbenzophenone,5-chloro-2-aminobenzophenone,2-amino-5-chlorobenzylphenone,benzophenone, 2-amino-5-chloro,unii-fr80014zbt,2-amino-5-chlorophenyl phenylmethanone PubChem CID: 12870 IUPAC Name: (2-amino-5-chlorophenyl)-phenylmethanone SMILES: NC1=CC=C(Cl)C=C1C(=O)C1=CC=CC=C1
| PubChem CID | 12870 |
|---|---|
| CAS | 719-59-5 |
| Molecular Weight (g/mol) | 231.68 |
| MDL Number | MFCD00007839 |
| SMILES | NC1=CC=C(Cl)C=C1C(=O)C1=CC=CC=C1 |
| Synonym | 2-amino-5-chlorobenzophenone,2-amino-5-chlorophenyl phenyl methanone,2-benzoyl-4-chloroaniline,methanone, 2-amino-5-chlorophenyl phenyl,2-amino-5-chlorbenzophenone,5-chloro-2-aminobenzophenone,2-amino-5-chlorobenzylphenone,benzophenone, 2-amino-5-chloro,unii-fr80014zbt,2-amino-5-chlorophenyl phenylmethanone |
| IUPAC Name | (2-amino-5-chlorophenyl)-phenylmethanone |
| InChI Key | ZUWXHHBROGLWNH-UHFFFAOYSA-N |
| Molecular Formula | C13H10ClNO |
Propylparaben, FCC, 99-100.5%, 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 |
4-Bromophenyl methyl sulfone, 99%, Thermo Scientific™
CAS: 3466-32-8 Molecular Formula: C7H7BrO2S Molecular Weight (g/mol): 235.1 MDL Number: MFCD00025065 InChI Key: FJLFSYRGFJDJMQ-UHFFFAOYSA-N Synonym: 4-bromophenyl methyl sulfone,1-bromo-4-methylsulfonyl benzene,1-bromo-4-methanesulfonylbenzene,p-bromophenyl methyl sulfone,methyl 4-bromophenyl sulfone,4-bromophenyl methyl sulphone,benzene, 1-bromo-4-methylsulfonyl,4-bromophenylmethylsulfone,p-methyl benzenesulfobromide,sulfone, p-bromophenyl methyl PubChem CID: 77014 IUPAC Name: 1-bromo-4-methylsulfonylbenzene SMILES: CS(=O)(=O)C1=CC=C(C=C1)Br
| PubChem CID | 77014 |
|---|---|
| CAS | 3466-32-8 |
| Molecular Weight (g/mol) | 235.1 |
| MDL Number | MFCD00025065 |
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)Br |
| Synonym | 4-bromophenyl methyl sulfone,1-bromo-4-methylsulfonyl benzene,1-bromo-4-methanesulfonylbenzene,p-bromophenyl methyl sulfone,methyl 4-bromophenyl sulfone,4-bromophenyl methyl sulphone,benzene, 1-bromo-4-methylsulfonyl,4-bromophenylmethylsulfone,p-methyl benzenesulfobromide,sulfone, p-bromophenyl methyl |
| IUPAC Name | 1-bromo-4-methylsulfonylbenzene |
| InChI Key | FJLFSYRGFJDJMQ-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrO2S |
Tetraphenylphosphonium chloride, 98%
CAS: 2001-45-8 Molecular Formula: C24H20ClP Molecular Weight (g/mol): 374.85 MDL Number: MFCD00011916 InChI Key: WAGFXJQAIZNSEQ-UHFFFAOYSA-M Synonym: tetraphenylphosphonium chloride,phosphonium, tetraphenyl-, chloride,tetraphenylphosphoniumchloride,tetraphenylchlorophosphine,tetraphenylphosphanium chloride,tetraphenyl phosphonium chloride,ph4pcl,tetraphenylphophonium chloride,tetraphenylphosphonium chloride, for the spectrophotometric det. of bi, co PubChem CID: 164911 IUPAC Name: tetraphenylphosphanium;chloride SMILES: [Cl-].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 164911 |
|---|---|
| CAS | 2001-45-8 |
| Molecular Weight (g/mol) | 374.85 |
| MDL Number | MFCD00011916 |
| SMILES | [Cl-].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | tetraphenylphosphonium chloride,phosphonium, tetraphenyl-, chloride,tetraphenylphosphoniumchloride,tetraphenylchlorophosphine,tetraphenylphosphanium chloride,tetraphenyl phosphonium chloride,ph4pcl,tetraphenylphophonium chloride,tetraphenylphosphonium chloride, for the spectrophotometric det. of bi, co |
| IUPAC Name | tetraphenylphosphanium;chloride |
| InChI Key | WAGFXJQAIZNSEQ-UHFFFAOYSA-M |
| Molecular Formula | C24H20ClP |
Clofibrate, 95+%
CAS: 637-07-0 Molecular Formula: C12H15ClO3 Molecular Weight (g/mol): 242.70 MDL Number: MFCD00000615 InChI Key: KNHUKKLJHYUCFP-UHFFFAOYSA-N Synonym: clofibrate,ethyl clofibrate,clofibratum,clofibrato,atromid-s,miscleron,atromid,liprin,epib,angiokapsul PubChem CID: 2796 ChEBI: CHEBI:3750 IUPAC Name: ethyl 2-(4-chlorophenoxy)-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1
| PubChem CID | 2796 |
|---|---|
| CAS | 637-07-0 |
| Molecular Weight (g/mol) | 242.70 |
| ChEBI | CHEBI:3750 |
| MDL Number | MFCD00000615 |
| SMILES | CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1 |
| Synonym | clofibrate,ethyl clofibrate,clofibratum,clofibrato,atromid-s,miscleron,atromid,liprin,epib,angiokapsul |
| IUPAC Name | ethyl 2-(4-chlorophenoxy)-2-methylpropanoate |
| InChI Key | KNHUKKLJHYUCFP-UHFFFAOYSA-N |
| Molecular Formula | C12H15ClO3 |
n-Hexyl benzoate, 98+%
CAS: 6789-88-4 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00051714 InChI Key: UUGLJVMIFJNVFH-UHFFFAOYSA-N Synonym: benzoic acid, hexyl ester,benzoic acid n-hexyl ester,n-hexylbenzoate,n-hexyl benzoate,1-hexyl benzoate,hexylbenzoate,hexylester kyseliny benzoove,benzoic acid hexyl ester,unii-vr3c36ekjr,fema no. 3691 PubChem CID: 23235 IUPAC Name: hexyl benzoate SMILES: CCCCCCOC(=O)C1=CC=CC=C1
| PubChem CID | 23235 |
|---|---|
| CAS | 6789-88-4 |
| Molecular Weight (g/mol) | 206.285 |
| MDL Number | MFCD00051714 |
| SMILES | CCCCCCOC(=O)C1=CC=CC=C1 |
| Synonym | benzoic acid, hexyl ester,benzoic acid n-hexyl ester,n-hexylbenzoate,n-hexyl benzoate,1-hexyl benzoate,hexylbenzoate,hexylester kyseliny benzoove,benzoic acid hexyl ester,unii-vr3c36ekjr,fema no. 3691 |
| IUPAC Name | hexyl benzoate |
| InChI Key | UUGLJVMIFJNVFH-UHFFFAOYSA-N |
| Molecular Formula | C13H18O2 |
5-Amino-2-chlorobenzotrifluoride, 99%
CAS: 320-51-4 Molecular Formula: C7H5ClF3N Molecular Weight (g/mol): 195.57 MDL Number: MFCD00007846 InChI Key: ASPDJZINBYYZRU-UHFFFAOYSA-N Synonym: 4-chloro-3-trifluoromethyl aniline,5-amino-2-chlorobenzotrifluoride,3-trifluoromethyl-4-chloroaniline,4-chloro-alpha,alpha,alpha-trifluoro-m-toluidine,2-chloro-5-aminobenzotrifluoride,acbt,benzenamine, 4-chloro-3-trifluoromethyl,2-chloro-5-aminebenzotrifluoride,4-chloro-3-trifluoromethyl-phenylamine,4-chloro-3-trifluoromethyl benzenamine PubChem CID: 67574 ChEBI: CHEBI:59245 IUPAC Name: 4-chloro-3-(trifluoromethyl)aniline SMILES: C1=CC(=C(C=C1N)C(F)(F)F)Cl
| PubChem CID | 67574 |
|---|---|
| CAS | 320-51-4 |
| Molecular Weight (g/mol) | 195.57 |
| ChEBI | CHEBI:59245 |
| MDL Number | MFCD00007846 |
| SMILES | C1=CC(=C(C=C1N)C(F)(F)F)Cl |
| Synonym | 4-chloro-3-trifluoromethyl aniline,5-amino-2-chlorobenzotrifluoride,3-trifluoromethyl-4-chloroaniline,4-chloro-alpha,alpha,alpha-trifluoro-m-toluidine,2-chloro-5-aminobenzotrifluoride,acbt,benzenamine, 4-chloro-3-trifluoromethyl,2-chloro-5-aminebenzotrifluoride,4-chloro-3-trifluoromethyl-phenylamine,4-chloro-3-trifluoromethyl benzenamine |
| IUPAC Name | 4-chloro-3-(trifluoromethyl)aniline |
| InChI Key | ASPDJZINBYYZRU-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClF3N |
Ethyl 3,5-bis(trifluoromethyl)benzoate, 97%, Thermo Scientific™
CAS: 96617-71-9 Molecular Formula: C11H8F6O2 Molecular Weight (g/mol): 286.17 MDL Number: MFCD01320684 InChI Key: NBWZJMOEFTYMOF-UHFFFAOYSA-N Synonym: ethyl 3,5-bis trifluoromethyl benzoate,3,5-bis-trifluoromethyl-benzoic acid ethyl ester,3,5-bis trifluoromethyl benzoic acid ethyl ester,rarechem al bi 0207,acmc-20al07,ethyl 3?5-bis trifluoromethyl benzoate,ethyl 3 5-bis trifluoromethyl benzoate,benzoic acid, 3,5-bis trifluoromethyl-, ethyl ester PubChem CID: 2733458 IUPAC Name: ethyl 3,5-bis(trifluoromethyl)benzoate SMILES: CCOC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
| PubChem CID | 2733458 |
|---|---|
| CAS | 96617-71-9 |
| Molecular Weight (g/mol) | 286.17 |
| MDL Number | MFCD01320684 |
| SMILES | CCOC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| Synonym | ethyl 3,5-bis trifluoromethyl benzoate,3,5-bis-trifluoromethyl-benzoic acid ethyl ester,3,5-bis trifluoromethyl benzoic acid ethyl ester,rarechem al bi 0207,acmc-20al07,ethyl 3?5-bis trifluoromethyl benzoate,ethyl 3 5-bis trifluoromethyl benzoate,benzoic acid, 3,5-bis trifluoromethyl-, ethyl ester |
| IUPAC Name | ethyl 3,5-bis(trifluoromethyl)benzoate |
| InChI Key | NBWZJMOEFTYMOF-UHFFFAOYSA-N |
| Molecular Formula | C11H8F6O2 |
5-Methyl-2-nitrophenol, 97%
CAS: 700-38-9 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007111 InChI Key: NQXUSSVLFOBRSE-UHFFFAOYSA-N Synonym: 6-nitro-m-cresol,phenol, 5-methyl-2-nitro,3-hydroxy-4-nitrotoluene,6-nitro-3-cresol,3-methyl-6-nitrophenol,m-cresol, 6-nitro,5-methyl-2-nitro-phenol,unii-z0b5eo9752,6-nitro-m-creso PubChem CID: 12788 IUPAC Name: 5-methyl-2-nitrophenol SMILES: CC1=CC=C(C(O)=C1)[N+]([O-])=O
| PubChem CID | 12788 |
|---|---|
| CAS | 700-38-9 |
| Molecular Weight (g/mol) | 153.14 |
| MDL Number | MFCD00007111 |
| SMILES | CC1=CC=C(C(O)=C1)[N+]([O-])=O |
| Synonym | 6-nitro-m-cresol,phenol, 5-methyl-2-nitro,3-hydroxy-4-nitrotoluene,6-nitro-3-cresol,3-methyl-6-nitrophenol,m-cresol, 6-nitro,5-methyl-2-nitro-phenol,unii-z0b5eo9752,6-nitro-m-creso |
| IUPAC Name | 5-methyl-2-nitrophenol |
| InChI Key | NQXUSSVLFOBRSE-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
3,4-Difluorobenzylamine, 95%, Thermo Scientific™
CAS: 72235-53-1 Molecular Formula: C7H7F2N Molecular Weight (g/mol): 143.14 MDL Number: MFCD00010145 InChI Key: PHLZUDXEBCQHKM-UHFFFAOYSA-N PubChem CID: 123572 IUPAC Name: (3,4-difluorophenyl)methanamine SMILES: C1=CC(=C(C=C1CN)F)F
| PubChem CID | 123572 |
|---|---|
| CAS | 72235-53-1 |
| Molecular Weight (g/mol) | 143.14 |
| MDL Number | MFCD00010145 |
| SMILES | C1=CC(=C(C=C1CN)F)F |
| IUPAC Name | (3,4-difluorophenyl)methanamine |
| InChI Key | PHLZUDXEBCQHKM-UHFFFAOYSA-N |
| Molecular Formula | C7H7F2N |
trans-4-Bromo-beta-nitrostyrene, 99%
CAS: 5153-71-9 Molecular Formula: C8H6BrNO2 Molecular Weight (g/mol): 228.05 InChI Key: LSGVHLGCJIBLMB-AATRIKPKSA-N Synonym: 1-bromo-4-2-nitrovinyl benzene,e-1-bromo-4-2-nitrovinyl benzene,1-bromo-4-e-2-nitroethenyl benzene,trans-4-bromo-beta-nitrostyrene,benzene, 1-bromo-4-1e-2-nitroethenyl,beta-nitro-4-bromostyrene,4-bromo-.beta.-nitrostyrene,e-4-bromo-beta-nitrostyrene,1-bromo-4-e-2-nitrovinyl benzene PubChem CID: 688204 IUPAC Name: 1-bromo-4-[(E)-2-nitroethenyl]benzene SMILES: C1=CC(=CC=C1C=C[N+](=O)[O-])Br
| PubChem CID | 688204 |
|---|---|
| CAS | 5153-71-9 |
| Molecular Weight (g/mol) | 228.05 |
| SMILES | C1=CC(=CC=C1C=C[N+](=O)[O-])Br |
| Synonym | 1-bromo-4-2-nitrovinyl benzene,e-1-bromo-4-2-nitrovinyl benzene,1-bromo-4-e-2-nitroethenyl benzene,trans-4-bromo-beta-nitrostyrene,benzene, 1-bromo-4-1e-2-nitroethenyl,beta-nitro-4-bromostyrene,4-bromo-.beta.-nitrostyrene,e-4-bromo-beta-nitrostyrene,1-bromo-4-e-2-nitrovinyl benzene |
| IUPAC Name | 1-bromo-4-[(E)-2-nitroethenyl]benzene |
| InChI Key | LSGVHLGCJIBLMB-AATRIKPKSA-N |
| Molecular Formula | C8H6BrNO2 |
3-Bromothiophenol, 95%
CAS: 6320-01-0 Molecular Formula: C6H5BrS Molecular Weight (g/mol): 189.07 MDL Number: MFCD00009603 InChI Key: HNGQQUDFJDROPY-UHFFFAOYSA-N Synonym: 3-bromothiophenol,m-bromobenzenethiol,m-bromothiophenol,3-bromo thiophenol,3-bromobenzene-1-thiol,benzenethiol, 3-bromo,3-bromophenyl mercaptan,3-bromo-benzenethiol,pubchem6805,# PubChem CID: 80597 IUPAC Name: 3-bromobenzenethiol SMILES: SC1=CC=CC(Br)=C1
| PubChem CID | 80597 |
|---|---|
| CAS | 6320-01-0 |
| Molecular Weight (g/mol) | 189.07 |
| MDL Number | MFCD00009603 |
| SMILES | SC1=CC=CC(Br)=C1 |
| Synonym | 3-bromothiophenol,m-bromobenzenethiol,m-bromothiophenol,3-bromo thiophenol,3-bromobenzene-1-thiol,benzenethiol, 3-bromo,3-bromophenyl mercaptan,3-bromo-benzenethiol,pubchem6805,# |
| IUPAC Name | 3-bromobenzenethiol |
| InChI Key | HNGQQUDFJDROPY-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrS |