Benzene and substituted derivatives
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2,3,4,5,6-Pentafluorotoluene 98.0+%, TCI America™
CAS: 771-56-2 Molecular Formula: C7H3F5 Molecular Weight (g/mol): 182.093 MDL Number: MFCD00000298 InChI Key: SXPRVMIZFRCAGC-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluorotoluene,pentafluorotoluene,methyl pentafluorobenzene,pentafluoromethylbenzene,benzene, pentafluoromethyl,methylpentafluorobenzene,benzene, 1,2,3,4,5-pentafluoro-6-methyl,toluene, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluoro-toluene,n-methylpentafluorobenzene PubChem CID: 69869 IUPAC Name: 1,2,3,4,5-pentafluoro-6-methylbenzene SMILES: CC1=C(C(=C(C(=C1F)F)F)F)F
| PubChem CID | 69869 |
|---|---|
| CAS | 771-56-2 |
| Molecular Weight (g/mol) | 182.093 |
| MDL Number | MFCD00000298 |
| SMILES | CC1=C(C(=C(C(=C1F)F)F)F)F |
| Synonym | 2,3,4,5,6-pentafluorotoluene,pentafluorotoluene,methyl pentafluorobenzene,pentafluoromethylbenzene,benzene, pentafluoromethyl,methylpentafluorobenzene,benzene, 1,2,3,4,5-pentafluoro-6-methyl,toluene, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluoro-toluene,n-methylpentafluorobenzene |
| IUPAC Name | 1,2,3,4,5-pentafluoro-6-methylbenzene |
| InChI Key | SXPRVMIZFRCAGC-UHFFFAOYSA-N |
| Molecular Formula | C7H3F5 |
1,2-Bis(4-methylphenyl)-1,2-diphenyl-1,2-ethanediol 96.0+%, TCI America™
CAS: 808-12-8 Molecular Formula: C28H26O2 Molecular Weight (g/mol): 394.514 MDL Number: MFCD00026012 InChI Key: YOCSNHRJFCUGEU-UHFFFAOYSA-N Synonym: 1,2-Diphenyl-1,2-di(p-tolyl)-1,2-ethanediol PubChem CID: 4612495 IUPAC Name: 1,2-bis(4-methylphenyl)-1,2-diphenylethane-1,2-diol SMILES: CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C3=CC=CC=C3)(C4=CC=C(C=C4)C)O)O
| PubChem CID | 4612495 |
|---|---|
| CAS | 808-12-8 |
| Molecular Weight (g/mol) | 394.514 |
| MDL Number | MFCD00026012 |
| SMILES | CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C3=CC=CC=C3)(C4=CC=C(C=C4)C)O)O |
| Synonym | 1,2-Diphenyl-1,2-di(p-tolyl)-1,2-ethanediol |
| IUPAC Name | 1,2-bis(4-methylphenyl)-1,2-diphenylethane-1,2-diol |
| InChI Key | YOCSNHRJFCUGEU-UHFFFAOYSA-N |
| Molecular Formula | C28H26O2 |
4-Chlorobenzenesulfonamide 98.0+%, TCI America™
CAS: 98-64-6 Molecular Formula: C6H6ClNO2S Molecular Weight (g/mol): 191.63 MDL Number: MFCD00007936 InChI Key: HHHDJHHNEURCNV-UHFFFAOYSA-N Synonym: p-chlorobenzenesulfonamide,benzenesulfonamide, 4-chloro,p-chlorobenzenesulfamide,4-chlorophenylsulfonamide,p-chlorophenylsulfonamide,4-chlorobenzenesulphonamide,benzenesulfonamide, p-chloro,usaf ma-3,4-chlorobenzene-1-sulfonamide,4-chloro-benzenesulfonamide PubChem CID: 66824 IUPAC Name: 4-chlorobenzene-1-sulfonamide SMILES: NS(=O)(=O)C1=CC=C(Cl)C=C1
| PubChem CID | 66824 |
|---|---|
| CAS | 98-64-6 |
| Molecular Weight (g/mol) | 191.63 |
| MDL Number | MFCD00007936 |
| SMILES | NS(=O)(=O)C1=CC=C(Cl)C=C1 |
| Synonym | p-chlorobenzenesulfonamide,benzenesulfonamide, 4-chloro,p-chlorobenzenesulfamide,4-chlorophenylsulfonamide,p-chlorophenylsulfonamide,4-chlorobenzenesulphonamide,benzenesulfonamide, p-chloro,usaf ma-3,4-chlorobenzene-1-sulfonamide,4-chloro-benzenesulfonamide |
| IUPAC Name | 4-chlorobenzene-1-sulfonamide |
| InChI Key | HHHDJHHNEURCNV-UHFFFAOYSA-N |
| Molecular Formula | C6H6ClNO2S |
2-Methylbenzhydrol 98.0+%, TCI America™
CAS: 5472-13-9 Molecular Formula: C14H14O Molecular Weight (g/mol): 198.265 MDL Number: MFCD00004490 InChI Key: MXHXXJOHFRHBFB-UHFFFAOYSA-N Synonym: 2-methylbenzhydrol,phenyl o-tolyl methanol,benzhydrol, 2-methyl,2-methylphenyl phenylmethanol,o-methylbenzhydrol,phenyl-o-tolyl-methanol,2-methylphenyl-phenylmethanol,benzenemethanol, 2-methyl-.alpha.-phenyl,2-methylphenyl phenyl methanol,phenyl-o-tolylcarbinol PubChem CID: 95659 IUPAC Name: (2-methylphenyl)-phenylmethanol SMILES: CC1=CC=CC=C1C(C2=CC=CC=C2)O
| PubChem CID | 95659 |
|---|---|
| CAS | 5472-13-9 |
| Molecular Weight (g/mol) | 198.265 |
| MDL Number | MFCD00004490 |
| SMILES | CC1=CC=CC=C1C(C2=CC=CC=C2)O |
| Synonym | 2-methylbenzhydrol,phenyl o-tolyl methanol,benzhydrol, 2-methyl,2-methylphenyl phenylmethanol,o-methylbenzhydrol,phenyl-o-tolyl-methanol,2-methylphenyl-phenylmethanol,benzenemethanol, 2-methyl-.alpha.-phenyl,2-methylphenyl phenyl methanol,phenyl-o-tolylcarbinol |
| IUPAC Name | (2-methylphenyl)-phenylmethanol |
| InChI Key | MXHXXJOHFRHBFB-UHFFFAOYSA-N |
| Molecular Formula | C14H14O |
2-Methyl-3-nitrobenzyl Chloride 98.0+%, TCI America™
CAS: 60468-54-4 Molecular Formula: C8H8ClNO2 Molecular Weight (g/mol): 185.61 MDL Number: MFCD00007165 InChI Key: XZNDXQGZPOZITR-UHFFFAOYSA-N Synonym: 2-methyl-3-nitrobenzyl chloride,1-chloromethyl-2-methyl-3-nitrobenzene,alpha-chloro-2-methyl-3-nitrotoluene,1-chloromethyl-2-methyl-3-nitro-benzene,2-methyl-3-nitrobenzylchloride,benzene, 1-chloromethyl-2-methyl-3-nitro,acmc-1b2j5,ksc497o8t,2-chloromethyl-6-nitrotoluene PubChem CID: 108947 IUPAC Name: 1-(chloromethyl)-2-methyl-3-nitrobenzene SMILES: CC1=C(CCl)C=CC=C1[N+]([O-])=O
| PubChem CID | 108947 |
|---|---|
| CAS | 60468-54-4 |
| Molecular Weight (g/mol) | 185.61 |
| MDL Number | MFCD00007165 |
| SMILES | CC1=C(CCl)C=CC=C1[N+]([O-])=O |
| Synonym | 2-methyl-3-nitrobenzyl chloride,1-chloromethyl-2-methyl-3-nitrobenzene,alpha-chloro-2-methyl-3-nitrotoluene,1-chloromethyl-2-methyl-3-nitro-benzene,2-methyl-3-nitrobenzylchloride,benzene, 1-chloromethyl-2-methyl-3-nitro,acmc-1b2j5,ksc497o8t,2-chloromethyl-6-nitrotoluene |
| IUPAC Name | 1-(chloromethyl)-2-methyl-3-nitrobenzene |
| InChI Key | XZNDXQGZPOZITR-UHFFFAOYSA-N |
| Molecular Formula | C8H8ClNO2 |
2-Bromo-5-methoxybenzyl Bromide 98.0+%, TCI America™
CAS: 19614-12-1 Molecular Formula: C8H8Br2O Molecular Weight (g/mol): 279.959 MDL Number: MFCD00078664 InChI Key: MURVUTUZSUEIGI-UHFFFAOYSA-N Synonym: 2-bromo-5-methoxybenzyl bromide,1-bromo-2-bromomethyl-4-methoxybenzene,2-bromo-5-methoxybenzylbromide,4-bromo-3-bromomethyl anisole,2-bromo-5-methoxy-benzyl bromide,benzene, 1-bromo-2-bromomethyl-4-methoxy,4-bromo-3-bromomethyl-1-methoxybenzene,pubchem18176,acmc-20a5x2,4-bromo3-bromomethylanisole PubChem CID: 3525951 IUPAC Name: 1-bromo-2-(bromomethyl)-4-methoxybenzene SMILES: COC1=CC(=C(C=C1)Br)CBr
| PubChem CID | 3525951 |
|---|---|
| CAS | 19614-12-1 |
| Molecular Weight (g/mol) | 279.959 |
| MDL Number | MFCD00078664 |
| SMILES | COC1=CC(=C(C=C1)Br)CBr |
| Synonym | 2-bromo-5-methoxybenzyl bromide,1-bromo-2-bromomethyl-4-methoxybenzene,2-bromo-5-methoxybenzylbromide,4-bromo-3-bromomethyl anisole,2-bromo-5-methoxy-benzyl bromide,benzene, 1-bromo-2-bromomethyl-4-methoxy,4-bromo-3-bromomethyl-1-methoxybenzene,pubchem18176,acmc-20a5x2,4-bromo3-bromomethylanisole |
| IUPAC Name | 1-bromo-2-(bromomethyl)-4-methoxybenzene |
| InChI Key | MURVUTUZSUEIGI-UHFFFAOYSA-N |
| Molecular Formula | C8H8Br2O |
3,3',4,5'-Tetramethoxypiceatannol 98.0+%, TCI America™
CAS: 83088-26-0 Molecular Formula: C18H20O4 Molecular Weight (g/mol): 300.354 MDL Number: MFCD09033675 InChI Key: PTVAOGIYBMTHSN-AATRIKPKSA-N PubChem CID: 5387294 IUPAC Name: 1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene SMILES: COC1=C(C=C(C=C1)C=CC2=CC(=CC(=C2)OC)OC)OC
| PubChem CID | 5387294 |
|---|---|
| CAS | 83088-26-0 |
| Molecular Weight (g/mol) | 300.354 |
| MDL Number | MFCD09033675 |
| SMILES | COC1=C(C=C(C=C1)C=CC2=CC(=CC(=C2)OC)OC)OC |
| IUPAC Name | 1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene |
| InChI Key | PTVAOGIYBMTHSN-AATRIKPKSA-N |
| Molecular Formula | C18H20O4 |
N-(2,4-Dinitrophenyl)-L-alanine 98.0+%, TCI America™
CAS: 1655-52-3 Molecular Formula: C9H9N3O6 Molecular Weight (g/mol): 255.19 MDL Number: MFCD00038106 InChI Key: KKHLKORVTUUSBC-YFKPBYRVSA-N Synonym: N-Dnp-L-alanine, Dnp-Ala-OH PubChem CID: 5464517 IUPAC Name: (2S)-2-[(2,4-dinitrophenyl)amino]propanoic acid SMILES: C[C@H](NC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(O)=O
| PubChem CID | 5464517 |
|---|---|
| CAS | 1655-52-3 |
| Molecular Weight (g/mol) | 255.19 |
| MDL Number | MFCD00038106 |
| SMILES | C[C@H](NC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(O)=O |
| Synonym | N-Dnp-L-alanine, Dnp-Ala-OH |
| IUPAC Name | (2S)-2-[(2,4-dinitrophenyl)amino]propanoic acid |
| InChI Key | KKHLKORVTUUSBC-YFKPBYRVSA-N |
| Molecular Formula | C9H9N3O6 |
3-Nitrobenzyl Alcohol 97.0+%, TCI America™
CAS: 619-25-0 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00007273 InChI Key: CWNPOQFCIIFQDM-UHFFFAOYSA-N Synonym: 3-nitrobenzyl alcohol,3-nitrophenyl methanol,m-nitrobenzyl alcohol,benzenemethanol, 3-nitro,benzyl alcohol, m-nitro,3-nitrobenzenemethanol,unii-f829x990iv,ccris 7971,3-nitrophenyl methan-1-ol,3-nitrobenzylalcohol PubChem CID: 69267 IUPAC Name: (3-nitrophenyl)methanol SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CO
| PubChem CID | 69267 |
|---|---|
| CAS | 619-25-0 |
| Molecular Weight (g/mol) | 153.137 |
| MDL Number | MFCD00007273 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CO |
| Synonym | 3-nitrobenzyl alcohol,3-nitrophenyl methanol,m-nitrobenzyl alcohol,benzenemethanol, 3-nitro,benzyl alcohol, m-nitro,3-nitrobenzenemethanol,unii-f829x990iv,ccris 7971,3-nitrophenyl methan-1-ol,3-nitrobenzylalcohol |
| IUPAC Name | (3-nitrophenyl)methanol |
| InChI Key | CWNPOQFCIIFQDM-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
Tetramethylammonium p-Toluenesulfonate 99.0+%, TCI America™
CAS: 3983-91-3 Molecular Formula: C11H19NO3S Molecular Weight (g/mol): 245.34 MDL Number: MFCD00043173 InChI Key: FHVCZJGBXWNGIZ-UHFFFAOYSA-M PubChem CID: 6451622 IUPAC Name: tetramethylazanium 4-methylbenzene-1-sulfonate SMILES: C[N+](C)(C)C.CC1=CC=C(C=C1)S([O-])(=O)=O
| PubChem CID | 6451622 |
|---|---|
| CAS | 3983-91-3 |
| Molecular Weight (g/mol) | 245.34 |
| MDL Number | MFCD00043173 |
| SMILES | C[N+](C)(C)C.CC1=CC=C(C=C1)S([O-])(=O)=O |
| IUPAC Name | tetramethylazanium 4-methylbenzene-1-sulfonate |
| InChI Key | FHVCZJGBXWNGIZ-UHFFFAOYSA-M |
| Molecular Formula | C11H19NO3S |
2-Methyl-3-nitrophenylacetic Acid 96.0+%, TCI America™
CAS: 23876-15-5 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD07782132 InChI Key: LWIOFILTAJJDLA-UHFFFAOYSA-N Synonym: 2-methyl-3-nitrophenylacetic acid,2-methyl-3-nitrophenyl acetic acid,2-2-methyl-3-nitrophenyl acetic acid,2-methyl-3-nitro-benzeneacetic acid,3-nitro-o-tolyl acetic acid,benzeneacetic acid, 2-methyl-3-nitro,2-methyl-3-nitrophenylaceticacid,2-methyl-3-nitrobenzeneacetic acid,2-methyl-3-nitro phenyl acetic acid,pubchem18230 PubChem CID: 13530897 SMILES: CC1=C(C=CC=C1[N+](=O)[O-])CC(=O)O
| PubChem CID | 13530897 |
|---|---|
| CAS | 23876-15-5 |
| Molecular Weight (g/mol) | 195.174 |
| MDL Number | MFCD07782132 |
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])CC(=O)O |
| Synonym | 2-methyl-3-nitrophenylacetic acid,2-methyl-3-nitrophenyl acetic acid,2-2-methyl-3-nitrophenyl acetic acid,2-methyl-3-nitro-benzeneacetic acid,3-nitro-o-tolyl acetic acid,benzeneacetic acid, 2-methyl-3-nitro,2-methyl-3-nitrophenylaceticacid,2-methyl-3-nitrobenzeneacetic acid,2-methyl-3-nitro phenyl acetic acid,pubchem18230 |
| InChI Key | LWIOFILTAJJDLA-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO4 |
Methyl 2-Chloro-4-fluorobenzoate 98.0+%, TCI America™
CAS: 85953-29-3 Molecular Formula: C8H6ClFO2 Molecular Weight (g/mol): 188.582 MDL Number: MFCD00173937 InChI Key: YZDLPZNWBRBZMZ-UHFFFAOYSA-N Synonym: 2-chloro-4-fluorobenzoic acid methyl ester,methyl 2-chloro-4-fluorobenzenecarboxylate,benzoic acid, 2-chloro-4-fluoro-, methyl ester,2-chloro-4-fluoro-benzoic acid methyl ester,pubchem18760,rarechem al bf 0289,acmc-209q7x,ksc495c1p,methyl 2-chloro-4-fluorob...,methy 2-chloro-4-fluorobenzoate PubChem CID: 2763551 IUPAC Name: methyl 2-chloro-4-fluorobenzoate SMILES: COC(=O)C1=C(C=C(C=C1)F)Cl
| PubChem CID | 2763551 |
|---|---|
| CAS | 85953-29-3 |
| Molecular Weight (g/mol) | 188.582 |
| MDL Number | MFCD00173937 |
| SMILES | COC(=O)C1=C(C=C(C=C1)F)Cl |
| Synonym | 2-chloro-4-fluorobenzoic acid methyl ester,methyl 2-chloro-4-fluorobenzenecarboxylate,benzoic acid, 2-chloro-4-fluoro-, methyl ester,2-chloro-4-fluoro-benzoic acid methyl ester,pubchem18760,rarechem al bf 0289,acmc-209q7x,ksc495c1p,methyl 2-chloro-4-fluorob...,methy 2-chloro-4-fluorobenzoate |
| IUPAC Name | methyl 2-chloro-4-fluorobenzoate |
| InChI Key | YZDLPZNWBRBZMZ-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClFO2 |
2,2'-Methylenebis(4-chlorophenol), TCI America™
CAS: 97-23-4 Molecular Formula: C13H10Cl2O2 Molecular Weight (g/mol): 269.12 MDL Number: MFCD00002322 InChI Key: MDNWOSOZYLHTCG-UHFFFAOYSA-N Synonym: dichlorophen,dichlorophene,dichlorofen,dichlorphen,trivex,2,2'-methylenebis 4-chlorophenol,didroxan,didroxane,anthiphen,antiphen PubChem CID: 3037 ChEBI: CHEBI:34689 IUPAC Name: 4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol SMILES: OC1=CC=C(Cl)C=C1CC1=CC(Cl)=CC=C1O
| PubChem CID | 3037 |
|---|---|
| CAS | 97-23-4 |
| Molecular Weight (g/mol) | 269.12 |
| ChEBI | CHEBI:34689 |
| MDL Number | MFCD00002322 |
| SMILES | OC1=CC=C(Cl)C=C1CC1=CC(Cl)=CC=C1O |
| Synonym | dichlorophen,dichlorophene,dichlorofen,dichlorphen,trivex,2,2'-methylenebis 4-chlorophenol,didroxan,didroxane,anthiphen,antiphen |
| IUPAC Name | 4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol |
| InChI Key | MDNWOSOZYLHTCG-UHFFFAOYSA-N |
| Molecular Formula | C13H10Cl2O2 |
Methyl 3-(Bromomethyl)benzoate 97.0+%, TCI America™
CAS: 1129-28-8 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00051437 InChI Key: YUHSMQQNPRLEEJ-UHFFFAOYSA-N PubChem CID: 517981 IUPAC Name: methyl 3-(bromomethyl)benzoate SMILES: COC(=O)C1=CC=CC(CBr)=C1
| PubChem CID | 517981 |
|---|---|
| CAS | 1129-28-8 |
| Molecular Weight (g/mol) | 229.07 |
| MDL Number | MFCD00051437 |
| SMILES | COC(=O)C1=CC=CC(CBr)=C1 |
| IUPAC Name | methyl 3-(bromomethyl)benzoate |
| InChI Key | YUHSMQQNPRLEEJ-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
N-(2'-Cyanobiphenyl-4-ylmethyl)-L-valine Methyl Ester Hydrochloride 98.0+%, TCI America™
CAS: 482577-59-3 Molecular Formula: C20H23ClN2O2 Molecular Weight (g/mol): 358.866 MDL Number: MFCD08460094 InChI Key: AZQXUWUZQLZNIM-FYZYNONXSA-N PubChem CID: 16744793 IUPAC Name: methyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-methylbutanoate;hydrochloride SMILES: CC(C)C(C(=O)OC)NCC1=CC=C(C=C1)C2=CC=CC=C2C#N.Cl
| PubChem CID | 16744793 |
|---|---|
| CAS | 482577-59-3 |
| Molecular Weight (g/mol) | 358.866 |
| MDL Number | MFCD08460094 |
| SMILES | CC(C)C(C(=O)OC)NCC1=CC=C(C=C1)C2=CC=CC=C2C#N.Cl |
| IUPAC Name | methyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-methylbutanoate;hydrochloride |
| InChI Key | AZQXUWUZQLZNIM-FYZYNONXSA-N |
| Molecular Formula | C20H23ClN2O2 |