Benzene and substituted derivatives
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2,6-Dibromo-4-nitroaniline 98.0+%, TCI America™
CAS: 827-94-1 Molecular Formula: C6H4Br2N2O2 Molecular Weight (g/mol): 295.92 MDL Number: MFCD00007639 InChI Key: YMZIFDLWYUSZCC-UHFFFAOYSA-N Synonym: benzenamine, 2,6-dibromo-4-nitro,aniline, 2,6-dibromo-4-nitro,unii-gwi915pon9,gwi915pon9,2,6-dibromo-4-nitro-aniline,2,6-dibromo-4-nitrophenylamine,2,6-dibromo-4-nitro-phenylamine,pubchem2330,dsstox_cid_31146,dsstox_gsid_52573 PubChem CID: 13231 IUPAC Name: 2,6-dibromo-4-nitroaniline SMILES: NC1=C(Br)C=C(C=C1Br)[N+]([O-])=O
| PubChem CID | 13231 |
|---|---|
| CAS | 827-94-1 |
| Molecular Weight (g/mol) | 295.92 |
| MDL Number | MFCD00007639 |
| SMILES | NC1=C(Br)C=C(C=C1Br)[N+]([O-])=O |
| Synonym | benzenamine, 2,6-dibromo-4-nitro,aniline, 2,6-dibromo-4-nitro,unii-gwi915pon9,gwi915pon9,2,6-dibromo-4-nitro-aniline,2,6-dibromo-4-nitrophenylamine,2,6-dibromo-4-nitro-phenylamine,pubchem2330,dsstox_cid_31146,dsstox_gsid_52573 |
| IUPAC Name | 2,6-dibromo-4-nitroaniline |
| InChI Key | YMZIFDLWYUSZCC-UHFFFAOYSA-N |
| Molecular Formula | C6H4Br2N2O2 |
2-Methoxyphenyl Isothiocyanate 98.0+%, TCI America™
CAS: 3288-04-8 Molecular Formula: C8H7NOS Molecular Weight (g/mol): 165.21 MDL Number: MFCD00011675 InChI Key: QKAOOWJWWKWWOZ-UHFFFAOYSA-N Synonym: 2-methoxyphenyl isothiocyanate,benzene, 1-isothiocyanato-2-methoxy,o-methoxyphenyl isothiocyanate,2-methoxyphenylisothiocyanate,1-isothiocyanato-2-methoxy-benzene,isothiocyanic acid 2-methoxyphenyl ester,2-methoxybenzenisothiocyanate,acmc-1coqu,o-methoxyphenylisothiocyanat,orthomethoxyphenyl isothiocyanate PubChem CID: 520599 IUPAC Name: 1-isothiocyanato-2-methoxybenzene SMILES: COC1=CC=CC=C1N=C=S
| PubChem CID | 520599 |
|---|---|
| CAS | 3288-04-8 |
| Molecular Weight (g/mol) | 165.21 |
| MDL Number | MFCD00011675 |
| SMILES | COC1=CC=CC=C1N=C=S |
| Synonym | 2-methoxyphenyl isothiocyanate,benzene, 1-isothiocyanato-2-methoxy,o-methoxyphenyl isothiocyanate,2-methoxyphenylisothiocyanate,1-isothiocyanato-2-methoxy-benzene,isothiocyanic acid 2-methoxyphenyl ester,2-methoxybenzenisothiocyanate,acmc-1coqu,o-methoxyphenylisothiocyanat,orthomethoxyphenyl isothiocyanate |
| IUPAC Name | 1-isothiocyanato-2-methoxybenzene |
| InChI Key | QKAOOWJWWKWWOZ-UHFFFAOYSA-N |
| Molecular Formula | C8H7NOS |
Methyl 4-Amino-3-bromobenzoate 98.0+%, TCI America™
CAS: 106896-49-5 Molecular Formula: C8H8BrNO2 Molecular Weight (g/mol): 230.06 MDL Number: MFCD01861385 InChI Key: AIUWAOALZYWQBX-UHFFFAOYSA-N Synonym: 4-amino-3-bromo-benzoic acid methyl ester,methyl4-amino-3-bromobenzoate,2-bromo-4-methoxycarbonylaniline,benzoic acid, 4-amino-3-bromo-, methyl ester,4-amino-3-bromobenzoic acid methyl ester,acmc-2098mp,methyl-4-amino-3-bromobenzoate,methyl 4-amino-3-bromo-benzoate,timtec-bb sbb012847,2-bromo-4-methoxycarbonyl aniline PubChem CID: 1515280 IUPAC Name: methyl 4-amino-3-bromobenzoate SMILES: COC(=O)C1=CC=C(N)C(Br)=C1
| PubChem CID | 1515280 |
|---|---|
| CAS | 106896-49-5 |
| Molecular Weight (g/mol) | 230.06 |
| MDL Number | MFCD01861385 |
| SMILES | COC(=O)C1=CC=C(N)C(Br)=C1 |
| Synonym | 4-amino-3-bromo-benzoic acid methyl ester,methyl4-amino-3-bromobenzoate,2-bromo-4-methoxycarbonylaniline,benzoic acid, 4-amino-3-bromo-, methyl ester,4-amino-3-bromobenzoic acid methyl ester,acmc-2098mp,methyl-4-amino-3-bromobenzoate,methyl 4-amino-3-bromo-benzoate,timtec-bb sbb012847,2-bromo-4-methoxycarbonyl aniline |
| IUPAC Name | methyl 4-amino-3-bromobenzoate |
| InChI Key | AIUWAOALZYWQBX-UHFFFAOYSA-N |
| Molecular Formula | C8H8BrNO2 |
4-Amino-2-methoxybenzonitrile 97.0+%, TCI America™
CAS: 7251-09-4 Molecular Formula: C8H8N2O Molecular Weight (g/mol): 148.17 MDL Number: MFCD09027303 InChI Key: KTDRJLRJAHBQDQ-UHFFFAOYSA-N Synonym: 4-Cyano-3-methoxyaniline, 5-Amino-2-cyanoanisole PubChem CID: 232735 IUPAC Name: 4-amino-2-methoxybenzonitrile SMILES: COC1=C(C=CC(=C1)N)C#N
| PubChem CID | 232735 |
|---|---|
| CAS | 7251-09-4 |
| Molecular Weight (g/mol) | 148.17 |
| MDL Number | MFCD09027303 |
| SMILES | COC1=C(C=CC(=C1)N)C#N |
| Synonym | 4-Cyano-3-methoxyaniline, 5-Amino-2-cyanoanisole |
| IUPAC Name | 4-amino-2-methoxybenzonitrile |
| InChI Key | KTDRJLRJAHBQDQ-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2O |
2-Bromo-4-chloroaniline 98.0+%, TCI America™
CAS: 873-38-1 Molecular Formula: C6H5BrClN Molecular Weight (g/mol): 206.467 InChI Key: SYTBIFURTZACKR-UHFFFAOYSA-N Synonym: benzenamine, 2-bromo-4-chloro,1-amino-2-bromo-4-chlorobenzene,2-bromo-4-chloro-phenylamine,2-bromo-4-chloro aniline,2-bromo-4-chlorophenylamine,pubchem3576,acmc-1bkdm,2-bromo-4-chloro-aniline,4-chloro-2-bromoaniline,2-bromo-4-chloroaniline PubChem CID: 70110 IUPAC Name: 2-bromo-4-chloroaniline SMILES: C1=CC(=C(C=C1Cl)Br)N
| PubChem CID | 70110 |
|---|---|
| CAS | 873-38-1 |
| Molecular Weight (g/mol) | 206.467 |
| SMILES | C1=CC(=C(C=C1Cl)Br)N |
| Synonym | benzenamine, 2-bromo-4-chloro,1-amino-2-bromo-4-chlorobenzene,2-bromo-4-chloro-phenylamine,2-bromo-4-chloro aniline,2-bromo-4-chlorophenylamine,pubchem3576,acmc-1bkdm,2-bromo-4-chloro-aniline,4-chloro-2-bromoaniline,2-bromo-4-chloroaniline |
| IUPAC Name | 2-bromo-4-chloroaniline |
| InChI Key | SYTBIFURTZACKR-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrClN |
2-Methoxyphenyl Isocyanate 98.0+%, TCI America™
CAS: 700-87-8 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.15 MDL Number: MFCD00002004 InChI Key: SUVCZZADQDCIEQ-UHFFFAOYSA-N Synonym: 2-methoxyphenyl isocyanate,2-methoxyphenylisocyanate,benzene, 1-isocyanato-2-methoxy,o-methoxyphenyl isocyanate,2-isocyanatoanisole,1-isocyanato-2-methoxy-benzene,o-anisylisocyanate,2-methoxybenzenisocyanate,o-anisyl isocyanate,methoxyphenyl isocyanate PubChem CID: 69695 IUPAC Name: 1-isocyanato-2-methoxybenzene SMILES: COC1=CC=CC=C1N=C=O
| PubChem CID | 69695 |
|---|---|
| CAS | 700-87-8 |
| Molecular Weight (g/mol) | 149.15 |
| MDL Number | MFCD00002004 |
| SMILES | COC1=CC=CC=C1N=C=O |
| Synonym | 2-methoxyphenyl isocyanate,2-methoxyphenylisocyanate,benzene, 1-isocyanato-2-methoxy,o-methoxyphenyl isocyanate,2-isocyanatoanisole,1-isocyanato-2-methoxy-benzene,o-anisylisocyanate,2-methoxybenzenisocyanate,o-anisyl isocyanate,methoxyphenyl isocyanate |
| IUPAC Name | 1-isocyanato-2-methoxybenzene |
| InChI Key | SUVCZZADQDCIEQ-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO2 |
2-Bromo-4,6-dichloroaniline 97.0+%, TCI America™
CAS: 697-86-9 Molecular Formula: C6H4BrCl2N Molecular Weight (g/mol): 240.909 MDL Number: MFCD00040936 InChI Key: DTPADCOGQUOGHT-UHFFFAOYSA-N Synonym: pubchem3605,acmc-209ob3,6-bromo-2,4-dichloroaniline,2,4-dichloro-6-bromoaniline,2-bromo-4,6-dichloro-aniline,6-bromo-2,4-dichlorophenylamine,benzenamine,2-bromo-4,6-dichloro,2-bromo-4,6-dichloroaniline,2-bromanyl-4,6-bis chloranyl aniline PubChem CID: 2756901 IUPAC Name: 2-bromo-4,6-dichloroaniline SMILES: C1=C(C=C(C(=C1Cl)N)Br)Cl
| PubChem CID | 2756901 |
|---|---|
| CAS | 697-86-9 |
| Molecular Weight (g/mol) | 240.909 |
| MDL Number | MFCD00040936 |
| SMILES | C1=C(C=C(C(=C1Cl)N)Br)Cl |
| Synonym | pubchem3605,acmc-209ob3,6-bromo-2,4-dichloroaniline,2,4-dichloro-6-bromoaniline,2-bromo-4,6-dichloro-aniline,6-bromo-2,4-dichlorophenylamine,benzenamine,2-bromo-4,6-dichloro,2-bromo-4,6-dichloroaniline,2-bromanyl-4,6-bis chloranyl aniline |
| IUPAC Name | 2-bromo-4,6-dichloroaniline |
| InChI Key | DTPADCOGQUOGHT-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrCl2N |
Nepsilon-(2,4-Dinitrophenyl)-L-lysine Hydrochloride 98.0+%, TCI America™
CAS: 14401-10-6 Molecular Formula: C12H16ClN4O6 Molecular Weight (g/mol): 347.73 MDL Number: MFCD00036383 InChI Key: FJDUWQCVTQNLPA-UHFFFAOYNA-N Synonym: Nepsilon-Dnp-L-lysine Hydrochloride, H-Lys(Dnp)-OH.HCl PubChem CID: 22872935 IUPAC Name: 2-amino-6-[(2,4-dinitrophenyl)amino]hexanoic acid hydrochloridyl SMILES: [Cl].NC(CCCCNC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(O)=O
| PubChem CID | 22872935 |
|---|---|
| CAS | 14401-10-6 |
| Molecular Weight (g/mol) | 347.73 |
| MDL Number | MFCD00036383 |
| SMILES | [Cl].NC(CCCCNC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(O)=O |
| Synonym | Nepsilon-Dnp-L-lysine Hydrochloride, H-Lys(Dnp)-OH.HCl |
| IUPAC Name | 2-amino-6-[(2,4-dinitrophenyl)amino]hexanoic acid hydrochloridyl |
| InChI Key | FJDUWQCVTQNLPA-UHFFFAOYNA-N |
| Molecular Formula | C12H16ClN4O6 |
Sodium 3-(N-Ethyl-3-methoxyanilino)-2-hydroxy-1-propanesulfonate 98.0+%, TCI America™
CAS: 82692-96-4 Molecular Formula: C12H22NNaO7S Molecular Weight (g/mol): 347.36 MDL Number: MFCD09261431 InChI Key: PNGLEYLFMHGIQO-UHFFFAOYNA-M Synonym: 3-(N-Ethyl-3-methoxyanilino)-2-hydroxy-1-propanesulfonic Acid Sodium Salt, N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-3-methoxyaniline Sodium Salt, ADOS PubChem CID: 71307074 IUPAC Name: sodium 3-[ethyl(3-methoxyphenyl)amino]-2-hydroxypropane-1-sulfonate dihydrate SMILES: O.O.[Na+].CCN(CC(O)CS([O-])(=O)=O)C1=CC(OC)=CC=C1
| PubChem CID | 71307074 |
|---|---|
| CAS | 82692-96-4 |
| Molecular Weight (g/mol) | 347.36 |
| MDL Number | MFCD09261431 |
| SMILES | O.O.[Na+].CCN(CC(O)CS([O-])(=O)=O)C1=CC(OC)=CC=C1 |
| Synonym | 3-(N-Ethyl-3-methoxyanilino)-2-hydroxy-1-propanesulfonic Acid Sodium Salt, N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-3-methoxyaniline Sodium Salt, ADOS |
| IUPAC Name | sodium 3-[ethyl(3-methoxyphenyl)amino]-2-hydroxypropane-1-sulfonate dihydrate |
| InChI Key | PNGLEYLFMHGIQO-UHFFFAOYNA-M |
| Molecular Formula | C12H22NNaO7S |
2,6-Dibromo-1,4-phenylenediamine 98.0+%, TCI America™
CAS: 29213-03-4 Molecular Formula: C6H6Br2N2 Molecular Weight (g/mol): 265.94 MDL Number: MFCD02575406 InChI Key: NIXNGYGWQMXMCA-UHFFFAOYSA-N Synonym: 2,5-Diamino-1,3-dibromobenzene PubChem CID: 653341 IUPAC Name: 2,6-dibromobenzene-1,4-diamine SMILES: NC1=CC(Br)=C(N)C(Br)=C1
| PubChem CID | 653341 |
|---|---|
| CAS | 29213-03-4 |
| Molecular Weight (g/mol) | 265.94 |
| MDL Number | MFCD02575406 |
| SMILES | NC1=CC(Br)=C(N)C(Br)=C1 |
| Synonym | 2,5-Diamino-1,3-dibromobenzene |
| IUPAC Name | 2,6-dibromobenzene-1,4-diamine |
| InChI Key | NIXNGYGWQMXMCA-UHFFFAOYSA-N |
| Molecular Formula | C6H6Br2N2 |
1-Bromo-3,5-difluorobenzene 98.0+%, TCI America™
CAS: 461-96-1 Molecular Formula: C6H3BrF2 Molecular Weight (g/mol): 192.99 MDL Number: MFCD00010305 InChI Key: JHLKSIOJYMGSMB-UHFFFAOYSA-N Synonym: 3,5-difluorobromobenzene,1-bromo-3,5-difluoro-benzene,1-bromo-3,5-difluoro benzene,benzene, 1-bromo-3,5-difluoro,3,5-difluoro-bromobenzene,pubchem1042,acmc-1ae0k,3,5-difluoro bromobenzene,bromo-3,5-difluorobenzene,3,5-difluorophenyl bromide PubChem CID: 136313 IUPAC Name: 1-bromo-3,5-difluorobenzene SMILES: FC1=CC(Br)=CC(F)=C1
| PubChem CID | 136313 |
|---|---|
| CAS | 461-96-1 |
| Molecular Weight (g/mol) | 192.99 |
| MDL Number | MFCD00010305 |
| SMILES | FC1=CC(Br)=CC(F)=C1 |
| Synonym | 3,5-difluorobromobenzene,1-bromo-3,5-difluoro-benzene,1-bromo-3,5-difluoro benzene,benzene, 1-bromo-3,5-difluoro,3,5-difluoro-bromobenzene,pubchem1042,acmc-1ae0k,3,5-difluoro bromobenzene,bromo-3,5-difluorobenzene,3,5-difluorophenyl bromide |
| IUPAC Name | 1-bromo-3,5-difluorobenzene |
| InChI Key | JHLKSIOJYMGSMB-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrF2 |
4-Fluorotoluene 99.0+%, TCI America™
CAS: 352-32-9 Molecular Formula: C7H7F Molecular Weight (g/mol): 110.131 MDL Number: MFCD00000358 InChI Key: WRWPPGUCZBJXKX-UHFFFAOYSA-N Synonym: 4-fluorotoluene,p-fluorotoluene,benzene, 1-fluoro-4-methyl,p-fluoromethylbenzene,toluene, p-fluoro,1-methyl-4-fluorobenzene,p-fluoromethyl benzene,unii-nud6wz1b8f,p-tolyl fluoride,para-fluorotoluene PubChem CID: 9603 IUPAC Name: 1-fluoro-4-methylbenzene SMILES: CC1=CC=C(C=C1)F
| PubChem CID | 9603 |
|---|---|
| CAS | 352-32-9 |
| Molecular Weight (g/mol) | 110.131 |
| MDL Number | MFCD00000358 |
| SMILES | CC1=CC=C(C=C1)F |
| Synonym | 4-fluorotoluene,p-fluorotoluene,benzene, 1-fluoro-4-methyl,p-fluoromethylbenzene,toluene, p-fluoro,1-methyl-4-fluorobenzene,p-fluoromethyl benzene,unii-nud6wz1b8f,p-tolyl fluoride,para-fluorotoluene |
| IUPAC Name | 1-fluoro-4-methylbenzene |
| InChI Key | WRWPPGUCZBJXKX-UHFFFAOYSA-N |
| Molecular Formula | C7H7F |
O-(2,3,4,5,6-Pentafluorobenzyl)formaldoxime 98.0+%, TCI America™
CAS: 86356-73-2 Molecular Formula: C8H4F5NO Molecular Weight (g/mol): 225.118 MDL Number: MFCD00191477 InChI Key: SRTQFRQWTUMMTC-UHFFFAOYSA-N PubChem CID: 602486 IUPAC Name: N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine SMILES: C=NOCC1=C(C(=C(C(=C1F)F)F)F)F
| PubChem CID | 602486 |
|---|---|
| CAS | 86356-73-2 |
| Molecular Weight (g/mol) | 225.118 |
| MDL Number | MFCD00191477 |
| SMILES | C=NOCC1=C(C(=C(C(=C1F)F)F)F)F |
| IUPAC Name | N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine |
| InChI Key | SRTQFRQWTUMMTC-UHFFFAOYSA-N |
| Molecular Formula | C8H4F5NO |
trans,trans-4-(4-Ethoxy-2,3-difluorophenyl)-4'-propylbicyclohexyl 98.0+%, TCI America™
CAS: 123560-48-5 Molecular Formula: C23H34F2O Molecular Weight (g/mol): 364.521 MDL Number: MFCD18433524 InChI Key: CFJCNWQXOICKIF-UHFFFAOYSA-N Synonym: trans,trans-4-4-ethoxy-2,3-difluorophenyl-4'-propyl-1,1'-bi cyclohexane,trans,trans-4'-4-ethoxy-2,3-difluoro-phenyl-4-propyl-bicyclohexyl,trans,trans-4-4-ethoxy-2,3-difluorophenyl-4'-n-propylbicyclohexyl,1r,1'r,4r,4's-4-4-ethoxy-2,3-difluorophenyl-4'-propyl-1,1'-bi cyclohexane,1-ethoxy-2,3-difluoro-4-4-4-propylcyclohexyl cyclohexyl benzene,trans,trans-4-4-ethoxy-2,3-difluorophenyl-4'-propylbicyclohexyl,trans-4-4-ethoxy-2,3-difluorophenyl-trans-4'-propylbicyclohexane,benzene, 1-ethoxy-2,3-difluoro-4-4'-propyl 1,1'-bicyclohexyl-4-yl,trans-4-4-ethoxy-2,3-difluoro-phenyl-4-propyl-bicycloh,1r,1's,4r,4'r-4-4-ethoxy-2,3-difluorophenyl-4'-propyl-1,1'-bi cyclohexane PubChem CID: 11417199 IUPAC Name: 1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene SMILES: CCCC1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)OCC)F)F
| PubChem CID | 11417199 |
|---|---|
| CAS | 123560-48-5 |
| Molecular Weight (g/mol) | 364.521 |
| MDL Number | MFCD18433524 |
| SMILES | CCCC1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)OCC)F)F |
| Synonym | trans,trans-4-4-ethoxy-2,3-difluorophenyl-4'-propyl-1,1'-bi cyclohexane,trans,trans-4'-4-ethoxy-2,3-difluoro-phenyl-4-propyl-bicyclohexyl,trans,trans-4-4-ethoxy-2,3-difluorophenyl-4'-n-propylbicyclohexyl,1r,1'r,4r,4's-4-4-ethoxy-2,3-difluorophenyl-4'-propyl-1,1'-bi cyclohexane,1-ethoxy-2,3-difluoro-4-4-4-propylcyclohexyl cyclohexyl benzene,trans,trans-4-4-ethoxy-2,3-difluorophenyl-4'-propylbicyclohexyl,trans-4-4-ethoxy-2,3-difluorophenyl-trans-4'-propylbicyclohexane,benzene, 1-ethoxy-2,3-difluoro-4-4'-propyl 1,1'-bicyclohexyl-4-yl,trans-4-4-ethoxy-2,3-difluoro-phenyl-4-propyl-bicycloh,1r,1's,4r,4'r-4-4-ethoxy-2,3-difluorophenyl-4'-propyl-1,1'-bi cyclohexane |
| IUPAC Name | 1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene |
| InChI Key | CFJCNWQXOICKIF-UHFFFAOYSA-N |
| Molecular Formula | C23H34F2O |
1,5-Dibromo-2,4-difluorobenzene 98.0+%, TCI America™
CAS: 28342-75-8 Molecular Formula: C6H2Br2F2 Molecular Weight (g/mol): 271.89 MDL Number: MFCD08458122 InChI Key: PPUZKAPOPPRMFE-UHFFFAOYSA-N PubChem CID: 10564511 IUPAC Name: 1,5-dibromo-2,4-difluorobenzene SMILES: FC1=CC(F)=C(Br)C=C1Br
| PubChem CID | 10564511 |
|---|---|
| CAS | 28342-75-8 |
| Molecular Weight (g/mol) | 271.89 |
| MDL Number | MFCD08458122 |
| SMILES | FC1=CC(F)=C(Br)C=C1Br |
| IUPAC Name | 1,5-dibromo-2,4-difluorobenzene |
| InChI Key | PPUZKAPOPPRMFE-UHFFFAOYSA-N |
| Molecular Formula | C6H2Br2F2 |