Benzene and substituted derivatives
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2-Chlorobenzyl Alcohol 98.0+%, TCI America™
CAS: 17849-38-6 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.582 MDL Number: MFCD00004604 InChI Key: MBYQPPXEXWRMQC-UHFFFAOYSA-N Synonym: 2-chlorobenzyl alcohol,2-chlorophenyl methanol,benzenemethanol, 2-chloro,2-chlorobenzenemethanol,o-chlorobenzyl alcohol,benzyl alcohol, o-chloro,2-chloro-phenyl-methanol,2-chlorophenyl methan-1-ol,benzenemethanol, ar-chloro,2-chlorobenzylalcohol PubChem CID: 28810 IUPAC Name: (2-chlorophenyl)methanol SMILES: C1=CC=C(C(=C1)CO)Cl
| PubChem CID | 28810 |
|---|---|
| CAS | 17849-38-6 |
| Molecular Weight (g/mol) | 142.582 |
| MDL Number | MFCD00004604 |
| SMILES | C1=CC=C(C(=C1)CO)Cl |
| Synonym | 2-chlorobenzyl alcohol,2-chlorophenyl methanol,benzenemethanol, 2-chloro,2-chlorobenzenemethanol,o-chlorobenzyl alcohol,benzyl alcohol, o-chloro,2-chloro-phenyl-methanol,2-chlorophenyl methan-1-ol,benzenemethanol, ar-chloro,2-chlorobenzylalcohol |
| IUPAC Name | (2-chlorophenyl)methanol |
| InChI Key | MBYQPPXEXWRMQC-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClO |
2-(4-Chlorophenoxy)isobutyric Acid 97.0+%, TCI America™
CAS: 882-09-7 Molecular Formula: C10H11ClO3 Molecular Weight (g/mol): 214.645 MDL Number: MFCD00004192 InChI Key: TXCGAZHTZHNUAI-UHFFFAOYSA-N Synonym: clofibric acid,2-4-chlorophenoxy-2-methylpropanoic acid,chlorofibrinic acid,clofibrinic acid,chlorfibrinic acid,clofibrin,chlorophibrinic acid,pcib,2-4-chlorophenoxy-2-methylpropionic acid,clofibrate free acid PubChem CID: 2797 ChEBI: CHEBI:34648 IUPAC Name: 2-(4-chlorophenoxy)-2-methylpropanoic acid SMILES: CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl
| PubChem CID | 2797 |
|---|---|
| CAS | 882-09-7 |
| Molecular Weight (g/mol) | 214.645 |
| ChEBI | CHEBI:34648 |
| MDL Number | MFCD00004192 |
| SMILES | CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl |
| Synonym | clofibric acid,2-4-chlorophenoxy-2-methylpropanoic acid,chlorofibrinic acid,clofibrinic acid,chlorfibrinic acid,clofibrin,chlorophibrinic acid,pcib,2-4-chlorophenoxy-2-methylpropionic acid,clofibrate free acid |
| IUPAC Name | 2-(4-chlorophenoxy)-2-methylpropanoic acid |
| InChI Key | TXCGAZHTZHNUAI-UHFFFAOYSA-N |
| Molecular Formula | C10H11ClO3 |
| PubChem CID | 2775922 |
|---|---|
| CAS | 1582-24-7 |
| MDL Number | MFCD01074663 |
| Color | White |
| Physical Form | Crystalline Powder |
| TSCA | No |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl)boronic acid |
| InChI Key | VASOMTXTRMYSKD-UHFFFAOYSA-N |
| Molecular Formula | C6H2BF5O2 |
| Formula Weight | 211.88 |
| Melting Point | 290°C |
Methyl Pentafluorobenzoate 98.0+%, TCI America™
CAS: 36629-42-2 Molecular Formula: C8H3F5O2 Molecular Weight (g/mol): 226.10 MDL Number: MFCD00012172 InChI Key: UXJRQNXHCZKHRJ-UHFFFAOYSA-N Synonym: methyl pentafluorobenzoate,pentafluorobenzoic acid methyl ester,benzoic acid, pentafluoro-, methyl ester,benzoic acid,2,3,4,5,6-pentafluoro-, methyl ester,methylpentafluorobenzoate,methyl perfluorobenzoate,acmc-209inq,methyl pentafluorbenzoate,perfluorobenzoic acid methyl ester PubChem CID: 606853 IUPAC Name: methyl 2,3,4,5,6-pentafluorobenzoate SMILES: COC(=O)C1=C(F)C(F)=C(F)C(F)=C1F
| PubChem CID | 606853 |
|---|---|
| CAS | 36629-42-2 |
| Molecular Weight (g/mol) | 226.10 |
| MDL Number | MFCD00012172 |
| SMILES | COC(=O)C1=C(F)C(F)=C(F)C(F)=C1F |
| Synonym | methyl pentafluorobenzoate,pentafluorobenzoic acid methyl ester,benzoic acid, pentafluoro-, methyl ester,benzoic acid,2,3,4,5,6-pentafluoro-, methyl ester,methylpentafluorobenzoate,methyl perfluorobenzoate,acmc-209inq,methyl pentafluorbenzoate,perfluorobenzoic acid methyl ester |
| IUPAC Name | methyl 2,3,4,5,6-pentafluorobenzoate |
| InChI Key | UXJRQNXHCZKHRJ-UHFFFAOYSA-N |
| Molecular Formula | C8H3F5O2 |
| PubChem CID | 2737803 |
|---|---|
| CAS | 22237-12-3 |
| Physical Form | Crystalline Powder |
| TSCA | No |
| Formula Weight | 150.97 |
4-Nitrotoluene 99.0+%, TCI America™
CAS: 99-99-0 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007366 InChI Key: ZPTVNYMJQHSSEA-UHFFFAOYSA-N Synonym: 4-nitrotoluene,p-nitrotoluene,4-methylnitrobenzene,4-nitrotoluol,benzene, 1-methyl-4-nitro,toluene, p-nitro,p-methylnitrobenzene,para-nitrotoluol,nitrotoluenos,nitrotoluene, p PubChem CID: 7473 ChEBI: CHEBI:35227 IUPAC Name: 1-methyl-4-nitrobenzene SMILES: CC1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 7473 |
|---|---|
| CAS | 99-99-0 |
| Molecular Weight (g/mol) | 137.14 |
| ChEBI | CHEBI:35227 |
| MDL Number | MFCD00007366 |
| SMILES | CC1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | 4-nitrotoluene,p-nitrotoluene,4-methylnitrobenzene,4-nitrotoluol,benzene, 1-methyl-4-nitro,toluene, p-nitro,p-methylnitrobenzene,para-nitrotoluol,nitrotoluenos,nitrotoluene, p |
| IUPAC Name | 1-methyl-4-nitrobenzene |
| InChI Key | ZPTVNYMJQHSSEA-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
(1-Naphthylmethyl)triphenylphosphonium Chloride 98.0+%, TCI America™
CAS: 23277-00-1 Molecular Formula: C29H24ClP Molecular Weight (g/mol): 438.93 MDL Number: MFCD00031658 InChI Key: MOYSMPXSEXYEJV-UHFFFAOYSA-M Synonym: 1-naphthylmethyl triphenylphosphonium chloride,naphthalen-1-ylmethyl triphenylphosphonium chloride,1-naphthylmethyl triphenylphosphoniumchloride,naphthalen-1-ylmethyl triphenyl phosphanium chloride,1-naphthylmethyltriphenylphosphonium chloride,acmc-209g2f,1-napthylmethyl triphenylphosphonium chloride,triphenyl 1-naphthylmethyl phosphonium chloride,1-naphthylmethyl-triphenylphosphonium chloride,1-naphthalenylmethyl triphenyl phosphonium chloride PubChem CID: 2734113 IUPAC Name: [(naphthalen-1-yl)methyl]triphenylphosphanium chloride SMILES: [Cl-].C(C1=CC=CC2=CC=CC=C12)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2734113 |
|---|---|
| CAS | 23277-00-1 |
| Molecular Weight (g/mol) | 438.93 |
| MDL Number | MFCD00031658 |
| SMILES | [Cl-].C(C1=CC=CC2=CC=CC=C12)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 1-naphthylmethyl triphenylphosphonium chloride,naphthalen-1-ylmethyl triphenylphosphonium chloride,1-naphthylmethyl triphenylphosphoniumchloride,naphthalen-1-ylmethyl triphenyl phosphanium chloride,1-naphthylmethyltriphenylphosphonium chloride,acmc-209g2f,1-napthylmethyl triphenylphosphonium chloride,triphenyl 1-naphthylmethyl phosphonium chloride,1-naphthylmethyl-triphenylphosphonium chloride,1-naphthalenylmethyl triphenyl phosphonium chloride |
| IUPAC Name | [(naphthalen-1-yl)methyl]triphenylphosphanium chloride |
| InChI Key | MOYSMPXSEXYEJV-UHFFFAOYSA-M |
| Molecular Formula | C29H24ClP |
Dimethyl Terephthalate 99.0+%, TCI America™
CAS: 120-61-6 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00008440 InChI Key: WOZVHXUHUFLZGK-UHFFFAOYSA-N Synonym: dimethyl terephthalate,dimethyl p-phthalate,1,4-benzenedicarboxylic acid, dimethyl ester,dimethyl p-benzenedicarboxylate,di-me terephthalate,dimethyl 4-phthalate,terephthalic acid, dimethyl ester,dimethyl 1,4-benzenedicarboxylate,terephthalic acid dimethyl ester,methyl p-methoxycarbonyl benzoate PubChem CID: 8441 IUPAC Name: 1,4-dimethyl benzene-1,4-dicarboxylate SMILES: COC(=O)C1=CC=C(C=C1)C(=O)OC
| PubChem CID | 8441 |
|---|---|
| CAS | 120-61-6 |
| Molecular Weight (g/mol) | 194.19 |
| MDL Number | MFCD00008440 |
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)OC |
| Synonym | dimethyl terephthalate,dimethyl p-phthalate,1,4-benzenedicarboxylic acid, dimethyl ester,dimethyl p-benzenedicarboxylate,di-me terephthalate,dimethyl 4-phthalate,terephthalic acid, dimethyl ester,dimethyl 1,4-benzenedicarboxylate,terephthalic acid dimethyl ester,methyl p-methoxycarbonyl benzoate |
| IUPAC Name | 1,4-dimethyl benzene-1,4-dicarboxylate |
| InChI Key | WOZVHXUHUFLZGK-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |
2-(Trifluoromethyl)phenyl Isocyanate 98.0+%, TCI America™
CAS: 2285-12-3 Molecular Formula: C8H4F3NO Molecular Weight (g/mol): 187.12 MDL Number: MFCD00002008 InChI Key: GZWGTVZRRFPVAS-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenyl isocyanate,1-isocyanato-2-trifluoromethyl benzene,benzene, 1-isocyanato-2-trifluoromethyl,alpha,alpha,alpha-trifluoro-o-tolyl isocyanate,o-trifluoromethylphenylisocyanate,isocyanic acid, alpha,alpha,alpha-trifluoro-o-tolyl ester,o-trifluoromethyl phenyl isocyanate,2-trifluoromethyl phenylisocyanate,2-trifluoromethyl benzenisocyanate,isocyanic acid, .alpha.,.alpha.,.alpha.-trifluoro-o-tolyl ester PubChem CID: 16794 IUPAC Name: 1-isocyanato-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)N=C=O
| PubChem CID | 16794 |
|---|---|
| CAS | 2285-12-3 |
| Molecular Weight (g/mol) | 187.12 |
| MDL Number | MFCD00002008 |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)N=C=O |
| Synonym | 2-trifluoromethyl phenyl isocyanate,1-isocyanato-2-trifluoromethyl benzene,benzene, 1-isocyanato-2-trifluoromethyl,alpha,alpha,alpha-trifluoro-o-tolyl isocyanate,o-trifluoromethylphenylisocyanate,isocyanic acid, alpha,alpha,alpha-trifluoro-o-tolyl ester,o-trifluoromethyl phenyl isocyanate,2-trifluoromethyl phenylisocyanate,2-trifluoromethyl benzenisocyanate,isocyanic acid, .alpha.,.alpha.,.alpha.-trifluoro-o-tolyl ester |
| IUPAC Name | 1-isocyanato-2-(trifluoromethyl)benzene |
| InChI Key | GZWGTVZRRFPVAS-UHFFFAOYSA-N |
| Molecular Formula | C8H4F3NO |
4,4,4-Trifluoro-1-(2-naphthyl)-1,3-butanedione 98.0+%, TCI America™
CAS: 893-33-4 Molecular Formula: C14H9F3O2 Molecular Weight (g/mol): 266.219 MDL Number: MFCD00054501 InChI Key: WVVLURYIQCXPIV-UHFFFAOYSA-N Synonym: 4,4,4-trifluoro-1-naphthalen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-naphthyl-1,3-butanedione,1-2-naphthoyl-3,3,3-trifluoroacetone,4,4,4-trifluoro-1-2-naphthyl butane-1,3-dione,3-2-naphthoyl-1,1,1-trifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-naphthalenyl,2-naphthoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-naphthyl,4,4,4-trifluoro-3-oxo-2'-butyronaphthone,acmc-1bl5t PubChem CID: 70179 IUPAC Name: 4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-dione SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)CC(=O)C(F)(F)F
| PubChem CID | 70179 |
|---|---|
| CAS | 893-33-4 |
| Molecular Weight (g/mol) | 266.219 |
| MDL Number | MFCD00054501 |
| SMILES | C1=CC=C2C=C(C=CC2=C1)C(=O)CC(=O)C(F)(F)F |
| Synonym | 4,4,4-trifluoro-1-naphthalen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-naphthyl-1,3-butanedione,1-2-naphthoyl-3,3,3-trifluoroacetone,4,4,4-trifluoro-1-2-naphthyl butane-1,3-dione,3-2-naphthoyl-1,1,1-trifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-naphthalenyl,2-naphthoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-naphthyl,4,4,4-trifluoro-3-oxo-2'-butyronaphthone,acmc-1bl5t |
| IUPAC Name | 4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-dione |
| InChI Key | WVVLURYIQCXPIV-UHFFFAOYSA-N |
| Molecular Formula | C14H9F3O2 |
2-Phenylbutyrophenone 98.0+%, TCI America™
CAS: 16282-16-9 Molecular Formula: C16H16O Molecular Weight (g/mol): 224.303 MDL Number: MFCD00010344 InChI Key: UHKJKVIZTFFFSB-UHFFFAOYSA-N Synonym: 1,2-diphenyl-1-butanone,alpha-ethyldeoxybenzoin,alpha-ethyl deoxybenzoin,2-phenylbutyrophenone,1,2-diphenyl-butan-1-one,1-butanone, 1,2-diphenyl,phenylbutyrophenone,pubchem20785,butyrophenone, 2-phenyl,1-butanone,1,2-diphenyl PubChem CID: 297636 IUPAC Name: 1,2-diphenylbutan-1-one SMILES: CCC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
| PubChem CID | 297636 |
|---|---|
| CAS | 16282-16-9 |
| Molecular Weight (g/mol) | 224.303 |
| MDL Number | MFCD00010344 |
| SMILES | CCC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2 |
| Synonym | 1,2-diphenyl-1-butanone,alpha-ethyldeoxybenzoin,alpha-ethyl deoxybenzoin,2-phenylbutyrophenone,1,2-diphenyl-butan-1-one,1-butanone, 1,2-diphenyl,phenylbutyrophenone,pubchem20785,butyrophenone, 2-phenyl,1-butanone,1,2-diphenyl |
| IUPAC Name | 1,2-diphenylbutan-1-one |
| InChI Key | UHKJKVIZTFFFSB-UHFFFAOYSA-N |
| Molecular Formula | C16H16O |
Rebamipide 98.0+%, TCI America™
CAS: 90098-04-7 Molecular Formula: C19H15ClN2O4 Molecular Weight (g/mol): 370.79 MDL Number: MFCD00866895,MFCD11114396 InChI Key: ALLWOAVDORUJLA-UHFFFAOYNA-N Synonym: 2-(4-Chlorobenzamido)-3-[2(1H)-quinolinon-4-yl]propionic Acid PubChem CID: 5042 IUPAC Name: 2-[(4-chlorophenyl)formamido]-3-(2-oxo-1,2-dihydroquinolin-4-yl)propanoic acid SMILES: OC(=O)C(CC1=CC(=O)NC2=CC=CC=C12)NC(=O)C1=CC=C(Cl)C=C1
| PubChem CID | 5042 |
|---|---|
| CAS | 90098-04-7 |
| Molecular Weight (g/mol) | 370.79 |
| MDL Number | MFCD00866895,MFCD11114396 |
| SMILES | OC(=O)C(CC1=CC(=O)NC2=CC=CC=C12)NC(=O)C1=CC=C(Cl)C=C1 |
| Synonym | 2-(4-Chlorobenzamido)-3-[2(1H)-quinolinon-4-yl]propionic Acid |
| IUPAC Name | 2-[(4-chlorophenyl)formamido]-3-(2-oxo-1,2-dihydroquinolin-4-yl)propanoic acid |
| InChI Key | ALLWOAVDORUJLA-UHFFFAOYNA-N |
| Molecular Formula | C19H15ClN2O4 |
Amyltriphenylphosphonium Bromide 98.0+%, TCI America™
CAS: 21406-61-1 Molecular Formula: C23H26BrP Molecular Weight (g/mol): 413.34 MDL Number: MFCD00031630 InChI Key: VAUKWMSXUKODHR-UHFFFAOYSA-M Synonym: pentyltriphenylphosphonium bromide,amyltriphenylphosphonium bromide,n-amyl triphenylphosphonium bromide,pentyltriphenylphosphanium bromide,1-pentyl triphenylphosphonium bromide,triphenyl-n-amylphosphonium bromide,pentyl triphenyl phosphanium bromide,phosphonium, pentyltriphenyl-, bromide,pentyl triphenyl phosphonium bromide,pubchem15722 PubChem CID: 2724565 IUPAC Name: pentyltriphenylphosphanium bromide SMILES: [Br-].CCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2724565 |
|---|---|
| CAS | 21406-61-1 |
| Molecular Weight (g/mol) | 413.34 |
| MDL Number | MFCD00031630 |
| SMILES | [Br-].CCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | pentyltriphenylphosphonium bromide,amyltriphenylphosphonium bromide,n-amyl triphenylphosphonium bromide,pentyltriphenylphosphanium bromide,1-pentyl triphenylphosphonium bromide,triphenyl-n-amylphosphonium bromide,pentyl triphenyl phosphanium bromide,phosphonium, pentyltriphenyl-, bromide,pentyl triphenyl phosphonium bromide,pubchem15722 |
| IUPAC Name | pentyltriphenylphosphanium bromide |
| InChI Key | VAUKWMSXUKODHR-UHFFFAOYSA-M |
| Molecular Formula | C23H26BrP |
4-Aminobenzoic Acid 99.0+%, TCI America™
CAS: 150-13-0 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007894 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Synonym: p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino PubChem CID: 978 ChEBI: CHEBI:30753 IUPAC Name: 4-aminobenzoic acid SMILES: NC1=CC=C(C=C1)C(O)=O
| PubChem CID | 978 |
|---|---|
| CAS | 150-13-0 |
| Molecular Weight (g/mol) | 137.14 |
| ChEBI | CHEBI:30753 |
| MDL Number | MFCD00007894 |
| SMILES | NC1=CC=C(C=C1)C(O)=O |
| Synonym | p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino |
| IUPAC Name | 4-aminobenzoic acid |
| InChI Key | ALYNCZNDIQEVRV-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
4-Aminostilbene 97.0+%, TCI America™
CAS: 834-24-2 Molecular Formula: C14H13N Molecular Weight (g/mol): 195.27 MDL Number: MFCD00025377 InChI Key: VFPLSXYJYAKZCT-VOTSOKGWSA-N Synonym: 4-Stilbenamine PubChem CID: 1272788 IUPAC Name: 4-[(1E)-2-phenylethenyl]aniline SMILES: NC1=CC=C(\C=C\C2=CC=CC=C2)C=C1
| PubChem CID | 1272788 |
|---|---|
| CAS | 834-24-2 |
| Molecular Weight (g/mol) | 195.27 |
| MDL Number | MFCD00025377 |
| SMILES | NC1=CC=C(\C=C\C2=CC=CC=C2)C=C1 |
| Synonym | 4-Stilbenamine |
| IUPAC Name | 4-[(1E)-2-phenylethenyl]aniline |
| InChI Key | VFPLSXYJYAKZCT-VOTSOKGWSA-N |
| Molecular Formula | C14H13N |