Benzene and substituted derivatives
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1,2-Bis(phenylsulfonyl)ethane, 98+%
CAS: 599-94-0 Molecular Formula: C14H14O4S2 Molecular Weight (g/mol): 310.38 MDL Number: MFCD00041256 InChI Key: ULELOBVZIKJPAC-UHFFFAOYSA-N Synonym: 1,2-bis phenylsulfonyl ethane,1,2-bis phenylsulphonyl ethane,1,1'-ethane-1,2-diylbis sulphonyl bisbenzene,2-benzenesulfonyl ethylsulfonylbenzene,ethylenebisphenyl sulfone,2-phenylsulfonyl ethyl sulfonyl benzene,2-benzenesulfonyl ethanesulfonyl benzene,1,1'-ethane-1,2-diyldisulfonyl dibenzene,ethylene diphenylsulfone,acmc-1apw3 PubChem CID: 69036 IUPAC Name: 2-(benzenesulfonyl)ethylsulfonylbenzene SMILES: O=S(=O)(CCS(=O)(=O)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 69036 |
|---|---|
| CAS | 599-94-0 |
| Molecular Weight (g/mol) | 310.38 |
| MDL Number | MFCD00041256 |
| SMILES | O=S(=O)(CCS(=O)(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 1,2-bis phenylsulfonyl ethane,1,2-bis phenylsulphonyl ethane,1,1'-ethane-1,2-diylbis sulphonyl bisbenzene,2-benzenesulfonyl ethylsulfonylbenzene,ethylenebisphenyl sulfone,2-phenylsulfonyl ethyl sulfonyl benzene,2-benzenesulfonyl ethanesulfonyl benzene,1,1'-ethane-1,2-diyldisulfonyl dibenzene,ethylene diphenylsulfone,acmc-1apw3 |
| IUPAC Name | 2-(benzenesulfonyl)ethylsulfonylbenzene |
| InChI Key | ULELOBVZIKJPAC-UHFFFAOYSA-N |
| Molecular Formula | C14H14O4S2 |
1-Phenyl-1,2,3-butanetrione 2-oxime, 98+%
CAS: 6797-44-0 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.186 MDL Number: MFCD00466576 InChI Key: JVPIIQSFMRUIAP-PKNBQFBNSA-N Synonym: 1-phenyl-1,2,3-butanetrione 2-oxime,1,2,3-butanetrione, 1-phenyl-, 2-oxime,1-phenylbutane-1,2,3-trione 2-oxime,2-hydroxyimino-1-phenylbutane-1,3-dione,3-isonitrosobenzoylacetone,2-hydroxyimino-1-phenyl-1,3-butanedione,2e-1-phenyl-1,2,3-butanetrione 2-oxime #,2z-2-n-hydroxyimino-1-phenylbutane-1,3-dione PubChem CID: 9576558 IUPAC Name: (2E)-2-hydroxyimino-1-phenylbutane-1,3-dione SMILES: CC(=O)C(=NO)C(=O)C1=CC=CC=C1
| PubChem CID | 9576558 |
|---|---|
| CAS | 6797-44-0 |
| Molecular Weight (g/mol) | 191.186 |
| MDL Number | MFCD00466576 |
| SMILES | CC(=O)C(=NO)C(=O)C1=CC=CC=C1 |
| Synonym | 1-phenyl-1,2,3-butanetrione 2-oxime,1,2,3-butanetrione, 1-phenyl-, 2-oxime,1-phenylbutane-1,2,3-trione 2-oxime,2-hydroxyimino-1-phenylbutane-1,3-dione,3-isonitrosobenzoylacetone,2-hydroxyimino-1-phenyl-1,3-butanedione,2e-1-phenyl-1,2,3-butanetrione 2-oxime #,2z-2-n-hydroxyimino-1-phenylbutane-1,3-dione |
| IUPAC Name | (2E)-2-hydroxyimino-1-phenylbutane-1,3-dione |
| InChI Key | JVPIIQSFMRUIAP-PKNBQFBNSA-N |
| Molecular Formula | C10H9NO3 |
2-Amino-4-methylbenzonitrile, 98%
CAS: 26830-96-6 Molecular Formula: C8H8N2 Molecular Weight (g/mol): 132.17 MDL Number: MFCD00173706 InChI Key: LGNVAEIITHYWCG-UHFFFAOYSA-N Synonym: 2-cyano-5-methylaniline,3-amino-4-cyanotoluene,2-amino-4-methyl-benzonitrile,4-methyl-2-aminobenzonitrile,benzonitrile, 2-amino-4-methyl,2-amino-4-methylbenzenecarbonitrile,2-amino-4-methylbenzonitril,6-cyano-m-toluidine,pubchem4661,4-methylanthranilonitrile PubChem CID: 2801276 IUPAC Name: 2-amino-4-methylbenzonitrile SMILES: CC1=CC=C(C#N)C(N)=C1
| PubChem CID | 2801276 |
|---|---|
| CAS | 26830-96-6 |
| Molecular Weight (g/mol) | 132.17 |
| MDL Number | MFCD00173706 |
| SMILES | CC1=CC=C(C#N)C(N)=C1 |
| Synonym | 2-cyano-5-methylaniline,3-amino-4-cyanotoluene,2-amino-4-methyl-benzonitrile,4-methyl-2-aminobenzonitrile,benzonitrile, 2-amino-4-methyl,2-amino-4-methylbenzenecarbonitrile,2-amino-4-methylbenzonitril,6-cyano-m-toluidine,pubchem4661,4-methylanthranilonitrile |
| IUPAC Name | 2-amino-4-methylbenzonitrile |
| InChI Key | LGNVAEIITHYWCG-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2 |
1-Bromo-4-ethylbenzene, 99%
CAS: 1585-07-5 Molecular Formula: C8H9Br Molecular Weight (g/mol): 185.064 MDL Number: MFCD00000111 InChI Key: URFPRAHGGBYNPW-UHFFFAOYSA-N Synonym: p-bromoethylbenzene,benzene, 1-bromo-4-ethyl,4-ethylbromobenzene,p-ethylbromobenzene,1-bromo-4-ethyl-benzene,unii-42li8tat6j,1-ethyl-4-bromobenzene,4-bromo-1-ethylbenzene,4-ethyl-1-bromobenzene,42li8tat6j PubChem CID: 15313 IUPAC Name: 1-bromo-4-ethylbenzene SMILES: CCC1=CC=C(C=C1)Br
| PubChem CID | 15313 |
|---|---|
| CAS | 1585-07-5 |
| Molecular Weight (g/mol) | 185.064 |
| MDL Number | MFCD00000111 |
| SMILES | CCC1=CC=C(C=C1)Br |
| Synonym | p-bromoethylbenzene,benzene, 1-bromo-4-ethyl,4-ethylbromobenzene,p-ethylbromobenzene,1-bromo-4-ethyl-benzene,unii-42li8tat6j,1-ethyl-4-bromobenzene,4-bromo-1-ethylbenzene,4-ethyl-1-bromobenzene,42li8tat6j |
| IUPAC Name | 1-bromo-4-ethylbenzene |
| InChI Key | URFPRAHGGBYNPW-UHFFFAOYSA-N |
| Molecular Formula | C8H9Br |
5-(4-bromophenyl)-3-methyl-1,2,4-oxadiazole, 97%, Thermo Scientific™
CAS: 71566-07-9 Molecular Formula: C9H7BrN2O Molecular Weight (g/mol): 239.072 InChI Key: AVXXUFMZRHQRTK-UHFFFAOYSA-N PubChem CID: 1214889 IUPAC Name: 5-(4-bromophenyl)-3-methyl-1,2,4-oxadiazole SMILES: CC1=NOC(=N1)C2=CC=C(C=C2)Br
| PubChem CID | 1214889 |
|---|---|
| CAS | 71566-07-9 |
| Molecular Weight (g/mol) | 239.072 |
| SMILES | CC1=NOC(=N1)C2=CC=C(C=C2)Br |
| IUPAC Name | 5-(4-bromophenyl)-3-methyl-1,2,4-oxadiazole |
| InChI Key | AVXXUFMZRHQRTK-UHFFFAOYSA-N |
| Molecular Formula | C9H7BrN2O |
(1S,2S)-(+)-2-Benzyloxycyclohexylamine, ChiPros 99+%, ee 99%
CAS: 216394-07-9 Molecular Formula: C13H19NO Molecular Weight (g/mol): 205.30 MDL Number: MFCD01075753 InChI Key: NTHNRYLIXJZHRZ-UHFFFAOYNA-N PubChem CID: 11908838 IUPAC Name: (1S,2S)-2-phenylmethoxycyclohexan-1-amine SMILES: NC1CCCCC1OCC1=CC=CC=C1
| PubChem CID | 11908838 |
|---|---|
| CAS | 216394-07-9 |
| Molecular Weight (g/mol) | 205.30 |
| MDL Number | MFCD01075753 |
| SMILES | NC1CCCCC1OCC1=CC=CC=C1 |
| IUPAC Name | (1S,2S)-2-phenylmethoxycyclohexan-1-amine |
| InChI Key | NTHNRYLIXJZHRZ-UHFFFAOYNA-N |
| Molecular Formula | C13H19NO |
Bromopentafluorobenzene, 99%
CAS: 344-04-7 Molecular Formula: C6BrF5 Molecular Weight (g/mol): 246.96 MDL Number: MFCD00000287 InChI Key: XEKTVXADUPBFOA-UHFFFAOYSA-N Synonym: bromopentafluorobenzene,pentafluorobromobenzene,benzene, bromopentafluoro,bromoperfluorobenzene,pentafluorophenyl bromide,2,3,4,5,6-pentafluorobromobenzene,benzene, 1-bromo-2,3,4,5,6-pentafluoro,1-bromo-pentafluorobenzene,2,3,4,5,6-bromopentafluorobenzene,1-bromo-2,3,4,5,6-pentafluoro-benzene PubChem CID: 9578 IUPAC Name: 1-bromo-2,3,4,5,6-pentafluorobenzene SMILES: FC1=C(F)C(F)=C(Br)C(F)=C1F
| PubChem CID | 9578 |
|---|---|
| CAS | 344-04-7 |
| Molecular Weight (g/mol) | 246.96 |
| MDL Number | MFCD00000287 |
| SMILES | FC1=C(F)C(F)=C(Br)C(F)=C1F |
| Synonym | bromopentafluorobenzene,pentafluorobromobenzene,benzene, bromopentafluoro,bromoperfluorobenzene,pentafluorophenyl bromide,2,3,4,5,6-pentafluorobromobenzene,benzene, 1-bromo-2,3,4,5,6-pentafluoro,1-bromo-pentafluorobenzene,2,3,4,5,6-bromopentafluorobenzene,1-bromo-2,3,4,5,6-pentafluoro-benzene |
| IUPAC Name | 1-bromo-2,3,4,5,6-pentafluorobenzene |
| InChI Key | XEKTVXADUPBFOA-UHFFFAOYSA-N |
| Molecular Formula | C6BrF5 |
2-Amino-6-chlorobenzoic acid, 97+%
CAS: 2148-56-3 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00051530 InChI Key: SZCPTRGBOVXVCA-UHFFFAOYSA-N Synonym: 6-chloroanthranilic acid,benzoic acid, 2-amino-6-chloro,2-amino-6-chloro-benzoic acid,6-chloranthranilsaure,pubchem9876,acmc-1cngq,6-chloro anthranilic acid,2-carboxy-3-chloroaniline,2amino-6-chlorobenzoic acid,ksc201s6b PubChem CID: 75071 IUPAC Name: 2-amino-6-chlorobenzoic acid SMILES: C1=CC(=C(C(=C1)Cl)C(=O)O)N
| PubChem CID | 75071 |
|---|---|
| CAS | 2148-56-3 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD00051530 |
| SMILES | C1=CC(=C(C(=C1)Cl)C(=O)O)N |
| Synonym | 6-chloroanthranilic acid,benzoic acid, 2-amino-6-chloro,2-amino-6-chloro-benzoic acid,6-chloranthranilsaure,pubchem9876,acmc-1cngq,6-chloro anthranilic acid,2-carboxy-3-chloroaniline,2amino-6-chlorobenzoic acid,ksc201s6b |
| IUPAC Name | 2-amino-6-chlorobenzoic acid |
| InChI Key | SZCPTRGBOVXVCA-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
2-Chloro-6-methylaniline, 98%
CAS: 87-63-8 Molecular Formula: C7H8ClN Molecular Weight (g/mol): 141.60 MDL Number: MFCD00007679 InChI Key: WFNLHDJJZSJARK-UHFFFAOYSA-N Synonym: 6-chloro-2-methylaniline,6-chloro-o-toluidine,2-amino-3-chlorotoluene,benzenamine, 2-chloro-6-methyl,3-chloro-2-aminotoluene,6-chloro-2-toluidine,2-methyl-6-chloroaniline,o-toluidine, 6-chloro,2-chloro-6-methyl-aniline,2-chloro-6-methylaninile PubChem CID: 6897 IUPAC Name: 2-chloro-6-methylaniline SMILES: CC1=CC=CC(Cl)=C1N
| PubChem CID | 6897 |
|---|---|
| CAS | 87-63-8 |
| Molecular Weight (g/mol) | 141.60 |
| MDL Number | MFCD00007679 |
| SMILES | CC1=CC=CC(Cl)=C1N |
| Synonym | 6-chloro-2-methylaniline,6-chloro-o-toluidine,2-amino-3-chlorotoluene,benzenamine, 2-chloro-6-methyl,3-chloro-2-aminotoluene,6-chloro-2-toluidine,2-methyl-6-chloroaniline,o-toluidine, 6-chloro,2-chloro-6-methyl-aniline,2-chloro-6-methylaninile |
| IUPAC Name | 2-chloro-6-methylaniline |
| InChI Key | WFNLHDJJZSJARK-UHFFFAOYSA-N |
| Molecular Formula | C7H8ClN |
6-Acetyl-2(3H)-benzothiazolone, 97%
CAS: 133044-44-7 Molecular Formula: C9H7NO2S Molecular Weight (g/mol): 193.22 MDL Number: MFCD02660572 InChI Key: UFRAIEFXNRTICG-UHFFFAOYSA-N Synonym: 6-acetyl-2 3h-benzothiazolone,6-acetylbenzo d thiazol-2 3h-one,1-2-hydroxybenzo d thiazol-6-yl ethanone,6-acetyl-1,3-benzothiazol-2 3h-one,2 3h-benzothiazolone,6-acetyl-9ci,pubchem21732,6-acetyl-3h-benzthiazole-2-one,6-acetyl-3h-benzothiazol-2-one,6-acetylbenzothiazol-2 3h-one,6-acetyl-2-benzothiazolone PubChem CID: 689053 IUPAC Name: 6-acetyl-3H-1,3-benzothiazol-2-one SMILES: CC(=O)C1=CC2=C(C=C1)NC(=O)S2
| PubChem CID | 689053 |
|---|---|
| CAS | 133044-44-7 |
| Molecular Weight (g/mol) | 193.22 |
| MDL Number | MFCD02660572 |
| SMILES | CC(=O)C1=CC2=C(C=C1)NC(=O)S2 |
| Synonym | 6-acetyl-2 3h-benzothiazolone,6-acetylbenzo d thiazol-2 3h-one,1-2-hydroxybenzo d thiazol-6-yl ethanone,6-acetyl-1,3-benzothiazol-2 3h-one,2 3h-benzothiazolone,6-acetyl-9ci,pubchem21732,6-acetyl-3h-benzthiazole-2-one,6-acetyl-3h-benzothiazol-2-one,6-acetylbenzothiazol-2 3h-one,6-acetyl-2-benzothiazolone |
| IUPAC Name | 6-acetyl-3H-1,3-benzothiazol-2-one |
| InChI Key | UFRAIEFXNRTICG-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO2S |
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 |
3-Amino-4-chlorobenzamide, 97%
CAS: 19694-10-1 Molecular Formula: C7H7ClN2O Molecular Weight (g/mol): 170.60 MDL Number: MFCD00035785 InChI Key: QHMDKGRWJVOUFU-UHFFFAOYSA-N PubChem CID: 88200 IUPAC Name: 3-amino-4-chlorobenzamide SMILES: NC(=O)C1=CC=C(Cl)C(N)=C1
| PubChem CID | 88200 |
|---|---|
| CAS | 19694-10-1 |
| Molecular Weight (g/mol) | 170.60 |
| MDL Number | MFCD00035785 |
| SMILES | NC(=O)C1=CC=C(Cl)C(N)=C1 |
| IUPAC Name | 3-amino-4-chlorobenzamide |
| InChI Key | QHMDKGRWJVOUFU-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClN2O |
4-Bromo-2-methylphenyl isothiocyanate, 98%
CAS: 19241-38-4 Molecular Formula: C8H6BrNS Molecular Weight (g/mol): 228.107 MDL Number: MFCD00041087 InChI Key: YASXCQRGYJGIKD-UHFFFAOYSA-N Synonym: 4-bromo-2-methylphenyl isothiocyanate,4-bromo-1-isothiocyanato-o-toluene,4-bromo-2-methylphenylisothiocyanate,4-bromo-2-methyl-phenyl isothiocyanate,benzene, 4-bromo-1-isothiocyanato-2-methyl,acmc-1bu0e,#,benzene,4-bromo-1-isothiocyanato-2-methyl PubChem CID: 87977 IUPAC Name: 4-bromo-1-isothiocyanato-2-methylbenzene SMILES: CC1=C(C=CC(=C1)Br)N=C=S
| PubChem CID | 87977 |
|---|---|
| CAS | 19241-38-4 |
| Molecular Weight (g/mol) | 228.107 |
| MDL Number | MFCD00041087 |
| SMILES | CC1=C(C=CC(=C1)Br)N=C=S |
| Synonym | 4-bromo-2-methylphenyl isothiocyanate,4-bromo-1-isothiocyanato-o-toluene,4-bromo-2-methylphenylisothiocyanate,4-bromo-2-methyl-phenyl isothiocyanate,benzene, 4-bromo-1-isothiocyanato-2-methyl,acmc-1bu0e,#,benzene,4-bromo-1-isothiocyanato-2-methyl |
| IUPAC Name | 4-bromo-1-isothiocyanato-2-methylbenzene |
| InChI Key | YASXCQRGYJGIKD-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrNS |
1,4-Phenylenediacetonitrile, 97%
CAS: 622-75-3 Molecular Formula: C10H8N2 Molecular Weight (g/mol): 156.188 MDL Number: MFCD00001923 InChI Key: FUQCKESKNZBNOG-UHFFFAOYSA-N Synonym: 1,4-phenylenediacetonitrile,1,4-benzenediacetonitrile,p-xylylene dicyanide,p-phenylenediacetonitrile,p-benzenediacetonitrile,2,2'-1,4-phenylene diacetonitrile,p-bis cyanomethyl benzene,1,4-bis cyanomethyl benzene,p-cyanomethyl benzyl cyanide,2-4-cyanomethyl phenyl acetonitrile PubChem CID: 69327 IUPAC Name: 2-[4-(cyanomethyl)phenyl]acetonitrile SMILES: C1=CC(=CC=C1CC#N)CC#N
| PubChem CID | 69327 |
|---|---|
| CAS | 622-75-3 |
| Molecular Weight (g/mol) | 156.188 |
| MDL Number | MFCD00001923 |
| SMILES | C1=CC(=CC=C1CC#N)CC#N |
| Synonym | 1,4-phenylenediacetonitrile,1,4-benzenediacetonitrile,p-xylylene dicyanide,p-phenylenediacetonitrile,p-benzenediacetonitrile,2,2'-1,4-phenylene diacetonitrile,p-bis cyanomethyl benzene,1,4-bis cyanomethyl benzene,p-cyanomethyl benzyl cyanide,2-4-cyanomethyl phenyl acetonitrile |
| IUPAC Name | 2-[4-(cyanomethyl)phenyl]acetonitrile |
| InChI Key | FUQCKESKNZBNOG-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2 |
2-Chloroanisole, 98%
CAS: 766-51-8 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.582 MDL Number: MFCD00000557 InChI Key: QGRPVMLBTFGQDQ-UHFFFAOYSA-N Synonym: 2-chloroanisole,o-chloroanisole,benzene, 1-chloro-2-methoxy,anisole, o-chloro,o-chloromethoxybenzene,o-chlorophenyl methyl ether,2-chlorophenol methyl ether,chloroanisole,1-chloro-2-methoxy-benzene,labotest-bb ltbb002921 PubChem CID: 13011 IUPAC Name: 1-chloro-2-methoxybenzene SMILES: COC1=CC=CC=C1Cl
| PubChem CID | 13011 |
|---|---|
| CAS | 766-51-8 |
| Molecular Weight (g/mol) | 142.582 |
| MDL Number | MFCD00000557 |
| SMILES | COC1=CC=CC=C1Cl |
| Synonym | 2-chloroanisole,o-chloroanisole,benzene, 1-chloro-2-methoxy,anisole, o-chloro,o-chloromethoxybenzene,o-chlorophenyl methyl ether,2-chlorophenol methyl ether,chloroanisole,1-chloro-2-methoxy-benzene,labotest-bb ltbb002921 |
| IUPAC Name | 1-chloro-2-methoxybenzene |
| InChI Key | QGRPVMLBTFGQDQ-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClO |