Benzene and substituted derivatives
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4,4'-Bis(chloromethyl)biphenyl 95.0+%, TCI America™
CAS: 1667-10-3 Molecular Formula: C14H12Cl2 Molecular Weight (g/mol): 251.15 MDL Number: MFCD00674019 InChI Key: INZDTEICWPZYJM-UHFFFAOYSA-N PubChem CID: 74275 IUPAC Name: 4,4'-bis(chloromethyl)-1,1'-biphenyl SMILES: ClCC1=CC=C(C=C1)C1=CC=C(CCl)C=C1
| PubChem CID | 74275 |
|---|---|
| CAS | 1667-10-3 |
| Molecular Weight (g/mol) | 251.15 |
| MDL Number | MFCD00674019 |
| SMILES | ClCC1=CC=C(C=C1)C1=CC=C(CCl)C=C1 |
| IUPAC Name | 4,4'-bis(chloromethyl)-1,1'-biphenyl |
| InChI Key | INZDTEICWPZYJM-UHFFFAOYSA-N |
| Molecular Formula | C14H12Cl2 |
Pentafluorophenylacetic Acid 98.0+%, TCI America™
CAS: 653-21-4 Molecular Formula: C8H3F5O2 Molecular Weight (g/mol): 226.102 MDL Number: MFCD00004316 InChI Key: LGCODSNZJOVMHV-UHFFFAOYSA-N Synonym: pentafluorophenylacetic acid,2,3,4,5,6-pentafluorophenylacetic acid,pentafluorophenyl acetic acid,2-perfluorophenyl acetic acid,2-2,3,4,5,6-pentafluorophenyl acetic acid,2,3,4,5,6-pentafluorphenylacetic acid,benzeneacetic acid, 2,3,4,5,6-pentafluoro,acmc-20aoj2,pentafluorophenylaceticacid,2-pentafluorophenyl acetic acid PubChem CID: 69553 IUPAC Name: 2-(2,3,4,5,6-pentafluorophenyl)acetic acid SMILES: C(C1=C(C(=C(C(=C1F)F)F)F)F)C(=O)O
| PubChem CID | 69553 |
|---|---|
| CAS | 653-21-4 |
| Molecular Weight (g/mol) | 226.102 |
| MDL Number | MFCD00004316 |
| SMILES | C(C1=C(C(=C(C(=C1F)F)F)F)F)C(=O)O |
| Synonym | pentafluorophenylacetic acid,2,3,4,5,6-pentafluorophenylacetic acid,pentafluorophenyl acetic acid,2-perfluorophenyl acetic acid,2-2,3,4,5,6-pentafluorophenyl acetic acid,2,3,4,5,6-pentafluorphenylacetic acid,benzeneacetic acid, 2,3,4,5,6-pentafluoro,acmc-20aoj2,pentafluorophenylaceticacid,2-pentafluorophenyl acetic acid |
| IUPAC Name | 2-(2,3,4,5,6-pentafluorophenyl)acetic acid |
| InChI Key | LGCODSNZJOVMHV-UHFFFAOYSA-N |
| Molecular Formula | C8H3F5O2 |
4-Bromo-2,6-difluoroanisole 98.0+%, TCI America™
CAS: 104197-14-0 Molecular Formula: C7H5BrF2O Molecular Weight (g/mol): 223.02 MDL Number: MFCD01631351 InChI Key: CDOQKISJPOWBKC-UHFFFAOYSA-N Synonym: 4-bromo-2,6-difluoroanisole,5-bromo-1,3-difluoro-2-methoxy-benzene,4-bromo-2,6-difluorophenyl methyl ether,benzene, 5-bromo-1,3-difluoro-2-methoxy,pubchem8361,acmc-1bo3j,4-bromo-2,6-difluoranisole,ksc183c9b,4-bromo-2,6-difluoro-anisol,3,5-difluoro-4-methoxy-bromobenzene PubChem CID: 2773287 IUPAC Name: 5-bromo-1,3-difluoro-2-methoxybenzene SMILES: COC1=C(F)C=C(Br)C=C1F
| PubChem CID | 2773287 |
|---|---|
| CAS | 104197-14-0 |
| Molecular Weight (g/mol) | 223.02 |
| MDL Number | MFCD01631351 |
| SMILES | COC1=C(F)C=C(Br)C=C1F |
| Synonym | 4-bromo-2,6-difluoroanisole,5-bromo-1,3-difluoro-2-methoxy-benzene,4-bromo-2,6-difluorophenyl methyl ether,benzene, 5-bromo-1,3-difluoro-2-methoxy,pubchem8361,acmc-1bo3j,4-bromo-2,6-difluoranisole,ksc183c9b,4-bromo-2,6-difluoro-anisol,3,5-difluoro-4-methoxy-bromobenzene |
| IUPAC Name | 5-bromo-1,3-difluoro-2-methoxybenzene |
| InChI Key | CDOQKISJPOWBKC-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrF2O |
Benzhydryl Chloride 95.0+%, TCI America™
CAS: 90-99-3 Molecular Formula: C13H11Cl Molecular Weight (g/mol): 202.681 MDL Number: MFCD00000855 InChI Key: ZDVDCDLBOLSVGM-UHFFFAOYSA-N Synonym: benzhydryl chloride,chlorodiphenylmethane,chloromethylene dibenzene,diphenylchloromethane,diphenylmethyl chloride,benzene, 1,1'-chloromethylene bis,chloro phenyl methyl benzene,methane, chlorodiphenyl,unii-cn9n9ayv4b,1,1'-chloromethylene bisbenzene PubChem CID: 7035 IUPAC Name: [chloro(phenyl)methyl]benzene SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)Cl
| PubChem CID | 7035 |
|---|---|
| CAS | 90-99-3 |
| Molecular Weight (g/mol) | 202.681 |
| MDL Number | MFCD00000855 |
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)Cl |
| Synonym | benzhydryl chloride,chlorodiphenylmethane,chloromethylene dibenzene,diphenylchloromethane,diphenylmethyl chloride,benzene, 1,1'-chloromethylene bis,chloro phenyl methyl benzene,methane, chlorodiphenyl,unii-cn9n9ayv4b,1,1'-chloromethylene bisbenzene |
| IUPAC Name | [chloro(phenyl)methyl]benzene |
| InChI Key | ZDVDCDLBOLSVGM-UHFFFAOYSA-N |
| Molecular Formula | C13H11Cl |
m-Toluidine Hydrochloride 98.0+%, TCI America™
CAS: 638-03-9 Molecular Formula: C7H10ClN Molecular Weight (g/mol): 143.614 MDL Number: MFCD00070607 InChI Key: VDXZPXIEEVOGLV-UHFFFAOYSA-N PubChem CID: 522105 IUPAC Name: 3-methylaniline;hydrochloride SMILES: CC1=CC(=CC=C1)N.Cl
| PubChem CID | 522105 |
|---|---|
| CAS | 638-03-9 |
| Molecular Weight (g/mol) | 143.614 |
| MDL Number | MFCD00070607 |
| SMILES | CC1=CC(=CC=C1)N.Cl |
| IUPAC Name | 3-methylaniline;hydrochloride |
| InChI Key | VDXZPXIEEVOGLV-UHFFFAOYSA-N |
| Molecular Formula | C7H10ClN |
Nimesulide 98.0+%, TCI America™
CAS: 51803-78-2 Molecular Formula: C13H12N2O5S Molecular Weight (g/mol): 308.308 MDL Number: MFCD00079470 InChI Key: HYWYRSMBCFDLJT-UHFFFAOYSA-N Synonym: nimesulide,mesulid,n-4-nitro-2-phenoxyphenyl methanesulfonamide,flogovital,sulidene,nimed,4-nitro-2-phenoxymethanesulfonanilide,nisulid,nimesulidum inn-latin,nimesulida inn-spanish PubChem CID: 4495 ChEBI: CHEBI:44445 IUPAC Name: N-(4-nitro-2-phenoxyphenyl)methanesulfonamide SMILES: CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2
| PubChem CID | 4495 |
|---|---|
| CAS | 51803-78-2 |
| Molecular Weight (g/mol) | 308.308 |
| ChEBI | CHEBI:44445 |
| MDL Number | MFCD00079470 |
| SMILES | CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2 |
| Synonym | nimesulide,mesulid,n-4-nitro-2-phenoxyphenyl methanesulfonamide,flogovital,sulidene,nimed,4-nitro-2-phenoxymethanesulfonanilide,nisulid,nimesulidum inn-latin,nimesulida inn-spanish |
| IUPAC Name | N-(4-nitro-2-phenoxyphenyl)methanesulfonamide |
| InChI Key | HYWYRSMBCFDLJT-UHFFFAOYSA-N |
| Molecular Formula | C13H12N2O5S |
p-Xylylene Dithiocyanate 98.0+%, TCI America™
CAS: 1014-99-9 Molecular Formula: C10H8N2S2 Molecular Weight (g/mol): 220.308 InChI Key: ZMFLUYPLYCZQDR-UHFFFAOYSA-N PubChem CID: 4460705 IUPAC Name: [4-(thiocyanatomethyl)phenyl]methyl thiocyanate SMILES: C1=CC(=CC=C1CSC#N)CSC#N
| PubChem CID | 4460705 |
|---|---|
| CAS | 1014-99-9 |
| Molecular Weight (g/mol) | 220.308 |
| SMILES | C1=CC(=CC=C1CSC#N)CSC#N |
| IUPAC Name | [4-(thiocyanatomethyl)phenyl]methyl thiocyanate |
| InChI Key | ZMFLUYPLYCZQDR-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2S2 |
2-p-Terphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 663954-31-2 Molecular Formula: C18H15BO2 Molecular Weight (g/mol): 274.13 MDL Number: MFCD08669638 InChI Key: SNYOIUKSBGFPSV-UHFFFAOYSA-N Synonym: 2-p-terphenylboronic acid,1,1':4',1-terphenyl-2-ylboronic acid,1,1':4',1-terphenyl-2-boronic acid,2-4-biphenyl phenylboronic acid,boronic acid, 1,1':4',1-terphenyl-2-yl,2-1,1'-biphenyl-4-yl phenylboronic acid,2-p-terphenylboronicacid,2-4-phenylphenyl phenylboronic acid,boronic acid,b-1,1':4',1-terphenyl-2-yl,1∼1∼,2∼1∼:2∼4∼,3∼1∼-terphenyl-1∼2∼-ylboronic acid PubChem CID: 22168980 IUPAC Name: (2-{[1,1'-biphenyl]-4-yl}phenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1C1=CC=C(C=C1)C1=CC=CC=C1
| PubChem CID | 22168980 |
|---|---|
| CAS | 663954-31-2 |
| Molecular Weight (g/mol) | 274.13 |
| MDL Number | MFCD08669638 |
| SMILES | OB(O)C1=CC=CC=C1C1=CC=C(C=C1)C1=CC=CC=C1 |
| Synonym | 2-p-terphenylboronic acid,1,1':4',1-terphenyl-2-ylboronic acid,1,1':4',1-terphenyl-2-boronic acid,2-4-biphenyl phenylboronic acid,boronic acid, 1,1':4',1-terphenyl-2-yl,2-1,1'-biphenyl-4-yl phenylboronic acid,2-p-terphenylboronicacid,2-4-phenylphenyl phenylboronic acid,boronic acid,b-1,1':4',1-terphenyl-2-yl,1∼1∼,2∼1∼:2∼4∼,3∼1∼-terphenyl-1∼2∼-ylboronic acid |
| IUPAC Name | (2-{[1,1'-biphenyl]-4-yl}phenyl)boronic acid |
| InChI Key | SNYOIUKSBGFPSV-UHFFFAOYSA-N |
| Molecular Formula | C18H15BO2 |
3-Methoxytoluene 98.0+%, TCI America™
CAS: 100-84-5 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00008395 InChI Key: OSIGJGFTADMDOB-UHFFFAOYSA-N Synonym: 3-methylanisole,3-methoxytoluene,m-methylanisole,m-cresol methyl ether,m-methoxytoluene,benzene, 1-methoxy-3-methyl,anisole, m-methyl,methyl m-tolyl ether,m-cresyl methyl ether,methyl m-cresyl ether PubChem CID: 7530 IUPAC Name: 1-methoxy-3-methylbenzene SMILES: COC1=CC=CC(C)=C1
| PubChem CID | 7530 |
|---|---|
| CAS | 100-84-5 |
| Molecular Weight (g/mol) | 122.17 |
| MDL Number | MFCD00008395 |
| SMILES | COC1=CC=CC(C)=C1 |
| Synonym | 3-methylanisole,3-methoxytoluene,m-methylanisole,m-cresol methyl ether,m-methoxytoluene,benzene, 1-methoxy-3-methyl,anisole, m-methyl,methyl m-tolyl ether,m-cresyl methyl ether,methyl m-cresyl ether |
| IUPAC Name | 1-methoxy-3-methylbenzene |
| InChI Key | OSIGJGFTADMDOB-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
Benzhydrylamine Hydrochloride 98.0+%, TCI America™
CAS: 5267-34-5 Molecular Formula: C13H14ClN Molecular Weight (g/mol): 219.712 MDL Number: MFCD00013023 InChI Key: CIHWJRSPVJBHGT-UHFFFAOYSA-N Synonym: benzhydrylamine hydrochloride,aminodiphenylmethane hydrochloride,benzhydrylamine, hydrochloride,diphenylmethanamine hydrochloride,benzhydrylammonium chloride,aminodiphenylmethane hcl,1,1-diphenylmethylamine hydrochloride,diphenylmethylamine, chloride,benzhydrylamin hydrochloride,bha-polystyrene PubChem CID: 78921 IUPAC Name: diphenylmethanamine;hydrochloride SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)N.Cl
| PubChem CID | 78921 |
|---|---|
| CAS | 5267-34-5 |
| Molecular Weight (g/mol) | 219.712 |
| MDL Number | MFCD00013023 |
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)N.Cl |
| Synonym | benzhydrylamine hydrochloride,aminodiphenylmethane hydrochloride,benzhydrylamine, hydrochloride,diphenylmethanamine hydrochloride,benzhydrylammonium chloride,aminodiphenylmethane hcl,1,1-diphenylmethylamine hydrochloride,diphenylmethylamine, chloride,benzhydrylamin hydrochloride,bha-polystyrene |
| IUPAC Name | diphenylmethanamine;hydrochloride |
| InChI Key | CIHWJRSPVJBHGT-UHFFFAOYSA-N |
| Molecular Formula | C13H14ClN |
3,4,5-Trifluorobenzonitrile 98.0+%, TCI America™
CAS: 134227-45-5 Molecular Formula: C7H2F3N Molecular Weight (g/mol): 157.095 MDL Number: MFCD00074948 InChI Key: XFKYJMGXZXJYBS-UHFFFAOYSA-N Synonym: 3,4,5-trifluoro-1-cyano benzene,benzonitrile, 3,4,5-trifluoro,3,4,5-trifluoro-benzonitrile,3,4,5-trifluorobenzenecarbonitrile,pubchem1573,intermediates-zcf02038,acmc-1bz57,ksc493s4j,3,4,5-?trifluorobenzonitrile,3,4,5-trifluorobenzonitrile PubChem CID: 593814 IUPAC Name: 3,4,5-trifluorobenzonitrile SMILES: C1=C(C=C(C(=C1F)F)F)C#N
| PubChem CID | 593814 |
|---|---|
| CAS | 134227-45-5 |
| Molecular Weight (g/mol) | 157.095 |
| MDL Number | MFCD00074948 |
| SMILES | C1=C(C=C(C(=C1F)F)F)C#N |
| Synonym | 3,4,5-trifluoro-1-cyano benzene,benzonitrile, 3,4,5-trifluoro,3,4,5-trifluoro-benzonitrile,3,4,5-trifluorobenzenecarbonitrile,pubchem1573,intermediates-zcf02038,acmc-1bz57,ksc493s4j,3,4,5-?trifluorobenzonitrile,3,4,5-trifluorobenzonitrile |
| IUPAC Name | 3,4,5-trifluorobenzonitrile |
| InChI Key | XFKYJMGXZXJYBS-UHFFFAOYSA-N |
| Molecular Formula | C7H2F3N |
Methyl 2-Methoxy-5-nitrobenzoate 98.0+%, TCI America™
CAS: 34841-11-7 Molecular Formula: C9H9NO5 Molecular Weight (g/mol): 211.173 MDL Number: MFCD00673023 InChI Key: DOBFJVVTBNTGCW-UHFFFAOYSA-N Synonym: 2-methoxy-5-nitrobenzoic acid methyl ester,methyl2-methoxy-5-nitrobenzoate,methyl-2-methoxy-5-nitrobenzoate,5-nitro-o-anisic acid methyl ester,pubchem14052,acmc-1adrt,methyl 5-nitro-o-anisate,asischem d13383,rarechem al bf 0877,timtec-bb sbb014757 PubChem CID: 7020925 IUPAC Name: methyl 2-methoxy-5-nitrobenzoate SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC
| PubChem CID | 7020925 |
|---|---|
| CAS | 34841-11-7 |
| Molecular Weight (g/mol) | 211.173 |
| MDL Number | MFCD00673023 |
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC |
| Synonym | 2-methoxy-5-nitrobenzoic acid methyl ester,methyl2-methoxy-5-nitrobenzoate,methyl-2-methoxy-5-nitrobenzoate,5-nitro-o-anisic acid methyl ester,pubchem14052,acmc-1adrt,methyl 5-nitro-o-anisate,asischem d13383,rarechem al bf 0877,timtec-bb sbb014757 |
| IUPAC Name | methyl 2-methoxy-5-nitrobenzoate |
| InChI Key | DOBFJVVTBNTGCW-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO5 |
2-Bromo-4-fluorobenzotrifluoride 98.0+%, TCI America™
CAS: 351003-21-9 Molecular Formula: C7H3BrF4 Molecular Weight (g/mol): 243.00 MDL Number: MFCD03094041 InChI Key: XBBGYSIEJHXPLL-UHFFFAOYSA-N Synonym: 2-bromo-4-fluorobenzotrifluoride,2-bromo-4-fluoro-1-trifluoromethyl benzene,1-bromo-2-trifluoromethyl-5-fluorobenzene,benzene, 2-bromo-4-fluoro-1-trifluoromethyl,2-bromo-4-florobenzotrifluoride,2-bromo-4-fluoro-1-trifluoromethyl-benzene,pubchem1636,acmc-209icx,ksc911k1l,2-bromo-4-fluorobenzo trifluoride PubChem CID: 2734909 IUPAC Name: 2-bromo-4-fluoro-1-(trifluoromethyl)benzene SMILES: FC1=CC(Br)=C(C=C1)C(F)(F)F
| PubChem CID | 2734909 |
|---|---|
| CAS | 351003-21-9 |
| Molecular Weight (g/mol) | 243.00 |
| MDL Number | MFCD03094041 |
| SMILES | FC1=CC(Br)=C(C=C1)C(F)(F)F |
| Synonym | 2-bromo-4-fluorobenzotrifluoride,2-bromo-4-fluoro-1-trifluoromethyl benzene,1-bromo-2-trifluoromethyl-5-fluorobenzene,benzene, 2-bromo-4-fluoro-1-trifluoromethyl,2-bromo-4-florobenzotrifluoride,2-bromo-4-fluoro-1-trifluoromethyl-benzene,pubchem1636,acmc-209icx,ksc911k1l,2-bromo-4-fluorobenzo trifluoride |
| IUPAC Name | 2-bromo-4-fluoro-1-(trifluoromethyl)benzene |
| InChI Key | XBBGYSIEJHXPLL-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrF4 |
4'-(trans-4-Amylcyclohexyl)biphenyl-4-carbonitrile 98.0+%, TCI America™
CAS: 68065-81-6 Molecular Formula: C24H29N Molecular Weight (g/mol): 331.503 MDL Number: MFCD01076317 InChI Key: QKEBUASRTJNJJS-UHFFFAOYSA-N Synonym: 4'-trans-4-pentylcyclohexyl-1,1'-biphenyl-4-carbonitrile,trans-4'-4-pentylcyclohexyl-4-biphenylcarbonitrile,trans-4-4-pentylcyclohexyl-4'-cyanobiphenyl,4-trans-4-n-pentylcyclohexyl biphenyl-4'-carbonitrile,4-4-4-pentylcyclohexyl phenyl benzonitrile,1,1'-biphenyl-4-carbonitrile, 4'-trans-4-pentylcyclohexyl,4-cyano-4'-trans-4-pentylcyclohexyl biphenyl,4'-trans-4-amylcyclohexyl biphenyl-4-carbonitrile,trans-4'-4-pentylcyclohexyl 1,1'-biphenyl-4-carbonitrile PubChem CID: 106491 IUPAC Name: 4-[4-(4-pentylcyclohexyl)phenyl]benzonitrile SMILES: CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N
| PubChem CID | 106491 |
|---|---|
| CAS | 68065-81-6 |
| Molecular Weight (g/mol) | 331.503 |
| MDL Number | MFCD01076317 |
| SMILES | CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N |
| Synonym | 4'-trans-4-pentylcyclohexyl-1,1'-biphenyl-4-carbonitrile,trans-4'-4-pentylcyclohexyl-4-biphenylcarbonitrile,trans-4-4-pentylcyclohexyl-4'-cyanobiphenyl,4-trans-4-n-pentylcyclohexyl biphenyl-4'-carbonitrile,4-4-4-pentylcyclohexyl phenyl benzonitrile,1,1'-biphenyl-4-carbonitrile, 4'-trans-4-pentylcyclohexyl,4-cyano-4'-trans-4-pentylcyclohexyl biphenyl,4'-trans-4-amylcyclohexyl biphenyl-4-carbonitrile,trans-4'-4-pentylcyclohexyl 1,1'-biphenyl-4-carbonitrile |
| IUPAC Name | 4-[4-(4-pentylcyclohexyl)phenyl]benzonitrile |
| InChI Key | QKEBUASRTJNJJS-UHFFFAOYSA-N |
| Molecular Formula | C24H29N |
1,3,5-Tris(3-bromophenyl)benzene 96.0+%, TCI America™
CAS: 96761-85-2 Molecular Formula: C24H15Br3 Molecular Weight (g/mol): 543.096 MDL Number: MFCD02323390 InChI Key: JKCQADHKVQXKFF-UHFFFAOYSA-N PubChem CID: 4576280 IUPAC Name: 1,3,5-tris(3-bromophenyl)benzene SMILES: C1=CC(=CC(=C1)Br)C2=CC(=CC(=C2)C3=CC(=CC=C3)Br)C4=CC(=CC=C4)Br
| PubChem CID | 4576280 |
|---|---|
| CAS | 96761-85-2 |
| Molecular Weight (g/mol) | 543.096 |
| MDL Number | MFCD02323390 |
| SMILES | C1=CC(=CC(=C1)Br)C2=CC(=CC(=C2)C3=CC(=CC=C3)Br)C4=CC(=CC=C4)Br |
| IUPAC Name | 1,3,5-tris(3-bromophenyl)benzene |
| InChI Key | JKCQADHKVQXKFF-UHFFFAOYSA-N |
| Molecular Formula | C24H15Br3 |