Benzene and substituted derivatives
Filtered Search Results
Rafoxanide 98.0+%, TCI America™
CAS: 22662-39-1 Molecular Formula: C19H11Cl2I2NO3 Molecular Weight (g/mol): 626.01 MDL Number: MFCD00682899 InChI Key: NEMNPWINWMHUMR-UHFFFAOYSA-N Synonym: 3′C-Chloro-4′C-(4-chlorophenoxy)-3,5-diiodosalicylanilide PubChem CID: 31475 IUPAC Name: N-[3-chloro-4-(4-chlorophenoxy)phenyl]-2-hydroxy-3,5-diiodobenzamide SMILES: OC1=C(I)C=C(I)C=C1C(=O)NC1=CC=C(OC2=CC=C(Cl)C=C2)C(Cl)=C1
| PubChem CID | 31475 |
|---|---|
| CAS | 22662-39-1 |
| Molecular Weight (g/mol) | 626.01 |
| MDL Number | MFCD00682899 |
| SMILES | OC1=C(I)C=C(I)C=C1C(=O)NC1=CC=C(OC2=CC=C(Cl)C=C2)C(Cl)=C1 |
| Synonym | 3′C-Chloro-4′C-(4-chlorophenoxy)-3,5-diiodosalicylanilide |
| IUPAC Name | N-[3-chloro-4-(4-chlorophenoxy)phenyl]-2-hydroxy-3,5-diiodobenzamide |
| InChI Key | NEMNPWINWMHUMR-UHFFFAOYSA-N |
| Molecular Formula | C19H11Cl2I2NO3 |
| PubChem CID | 2734377 |
|---|---|
| CAS | 51067-38-0 |
| MDL Number | MFCD00093312 |
| Physical Form | Crystalline Powder |
| TSCA | No |
| IUPAC Name | (4-phenoxyphenyl)boronic acid |
| InChI Key | KFXUHRXGLWUOJT-UHFFFAOYSA-N |
| Molecular Formula | C12H11BO3 |
| Formula Weight | 214.03 |
| Melting Point | 115°C |
Xylometazoline Hydrochloride 98.0+%, TCI America™
CAS: 1218-35-5 Molecular Formula: C16H25ClN2 Molecular Weight (g/mol): 280.84 MDL Number: MFCD00238707 InChI Key: YGWFCQYETHJKNX-UHFFFAOYSA-N Synonym: xylometazoline hydrochloride,xylometazoline hcl,2-4-tert-butyl-2,6-dimethylbenzyl-2-imidazoline hydrochloride,unii-x5s84033nz,dsstox_cid_25223,dsstox_rid_80760,dsstox_gsid_45223,2-4-tert-butyl-2,6-dimethyl-phenyl methyl-4,5-dihydro-1h-imidazole hydrochloride,2-4-tert-butyl-2,6-dimethylphenyl methyl-4,5-dihydro-1h-imidazole hydrochloride PubChem CID: 5282386 IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride SMILES: CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C.Cl
| PubChem CID | 5282386 |
|---|---|
| CAS | 1218-35-5 |
| Molecular Weight (g/mol) | 280.84 |
| MDL Number | MFCD00238707 |
| SMILES | CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C.Cl |
| Synonym | xylometazoline hydrochloride,xylometazoline hcl,2-4-tert-butyl-2,6-dimethylbenzyl-2-imidazoline hydrochloride,unii-x5s84033nz,dsstox_cid_25223,dsstox_rid_80760,dsstox_gsid_45223,2-4-tert-butyl-2,6-dimethyl-phenyl methyl-4,5-dihydro-1h-imidazole hydrochloride,2-4-tert-butyl-2,6-dimethylphenyl methyl-4,5-dihydro-1h-imidazole hydrochloride |
| IUPAC Name | 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride |
| InChI Key | YGWFCQYETHJKNX-UHFFFAOYSA-N |
| Molecular Formula | C16H25ClN2 |
| Molecular Weight (g/mol) | 147.968 |
|---|---|
| Color | White |
| Physical Form | Crystalline Powder |
| Chemical Name or Material | 3-Vinylphenylboronic Acid (contains varying amounts of Anhydride) |
| SMILES | B(C1=CC(=CC=C1)C=C)(O)O |
| InChI Key | SYBQEKBVWDPVJM-UHFFFAOYSA-N |
| PubChem CID | 4366886 |
| CAS | 15016-43-0 |
| MDL Number | MFCD01074679 |
| TSCA | No |
| IUPAC Name | (3-ethenylphenyl)boronic acid |
| Molecular Formula | C8H9BO2 |
| Formula Weight | 147.97 |
| Melting Point | 145°C |
o-Xylyl Cyanide 98.0+%, TCI America™
CAS: 22364-68-7 Molecular Formula: C9H9N Molecular Weight (g/mol): 131.178 MDL Number: MFCD00001904 InChI Key: WMGVPDQNPUQRND-UHFFFAOYSA-N Synonym: 2-methylbenzyl cyanide,2-o-tolyl acetonitrile,o-tolylacetonitrile,2-methylphenylacetonitrile,o-methylphenylacetonitrile,o-xylyl cyanide,o-methylbenzyl cyanide,acetonitrile, o-tolyl,benzeneacetonitrile, 2-methyl,2-2-methylphenyl acetonitrile PubChem CID: 31155 ChEBI: CHEBI:27982 IUPAC Name: 2-(2-methylphenyl)acetonitrile SMILES: CC1=CC=CC=C1CC#N
| PubChem CID | 31155 |
|---|---|
| CAS | 22364-68-7 |
| Molecular Weight (g/mol) | 131.178 |
| ChEBI | CHEBI:27982 |
| MDL Number | MFCD00001904 |
| SMILES | CC1=CC=CC=C1CC#N |
| Synonym | 2-methylbenzyl cyanide,2-o-tolyl acetonitrile,o-tolylacetonitrile,2-methylphenylacetonitrile,o-methylphenylacetonitrile,o-xylyl cyanide,o-methylbenzyl cyanide,acetonitrile, o-tolyl,benzeneacetonitrile, 2-methyl,2-2-methylphenyl acetonitrile |
| IUPAC Name | 2-(2-methylphenyl)acetonitrile |
| InChI Key | WMGVPDQNPUQRND-UHFFFAOYSA-N |
| Molecular Formula | C9H9N |
vBRIDP(regR) 98.0+%, TCI America™
CAS: 384842-25-5 Molecular Formula: C23H31P Molecular Weight (g/mol): 338.475 MDL Number: MFCD16621412 InChI Key: CYGZMOQFIMJEIT-UHFFFAOYSA-N Synonym: Di-tert-butyl(1,1-diphenyl-1-propen-2-yl)phosphine PubChem CID: 12010825 IUPAC Name: ditert-butyl(1,1-diphenylprop-1-en-2-yl)phosphane SMILES: CC(=C(C1=CC=CC=C1)C2=CC=CC=C2)P(C(C)(C)C)C(C)(C)C
| PubChem CID | 12010825 |
|---|---|
| CAS | 384842-25-5 |
| Molecular Weight (g/mol) | 338.475 |
| MDL Number | MFCD16621412 |
| SMILES | CC(=C(C1=CC=CC=C1)C2=CC=CC=C2)P(C(C)(C)C)C(C)(C)C |
| Synonym | Di-tert-butyl(1,1-diphenyl-1-propen-2-yl)phosphine |
| IUPAC Name | ditert-butyl(1,1-diphenylprop-1-en-2-yl)phosphane |
| InChI Key | CYGZMOQFIMJEIT-UHFFFAOYSA-N |
| Molecular Formula | C23H31P |
4-Vinylbenzoic Acid (stabilized with BHT) 97.0+%, TCI America™
CAS: 1075-49-6 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00002569 InChI Key: IRQWEODKXLDORP-UHFFFAOYSA-N Synonym: 4-vinylbenzoic acid,p-vinylbenzoic acid,4-carboxystyrene,benzoic acid, 4-ethenyl,styrene-4-carboxylic acid,4-vinyl-benzoic acid,p-vinyl benzoic acid,4-vinyl benzoic acid,para-vinyl benzoic acid,pubchem12624 PubChem CID: 14098 IUPAC Name: 4-ethenylbenzoic acid SMILES: C=CC1=CC=C(C=C1)C(=O)O
| PubChem CID | 14098 |
|---|---|
| CAS | 1075-49-6 |
| Molecular Weight (g/mol) | 148.161 |
| MDL Number | MFCD00002569 |
| SMILES | C=CC1=CC=C(C=C1)C(=O)O |
| Synonym | 4-vinylbenzoic acid,p-vinylbenzoic acid,4-carboxystyrene,benzoic acid, 4-ethenyl,styrene-4-carboxylic acid,4-vinyl-benzoic acid,p-vinyl benzoic acid,4-vinyl benzoic acid,para-vinyl benzoic acid,pubchem12624 |
| IUPAC Name | 4-ethenylbenzoic acid |
| InChI Key | IRQWEODKXLDORP-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
Vanillic Acid 98.0+%, TCI America™
CAS: 121-34-6 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002551 InChI Key: WKOLLVMJNQIZCI-UHFFFAOYSA-N Synonym: vanillic acid,acide vanillique,p-vanillic acid,benzoic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxybenzoic acid,vanillate,m-anisic acid, 4-hydroxy,protocatechuic acid, 3-methyl ester,4-hydroxy-3-methoxy-benzoic acid,unii-gm8q3jm2y8 PubChem CID: 8468 ChEBI: CHEBI:30816 IUPAC Name: 4-hydroxy-3-methoxybenzoic acid SMILES: COC1=CC(=CC=C1O)C(O)=O
| PubChem CID | 8468 |
|---|---|
| CAS | 121-34-6 |
| Molecular Weight (g/mol) | 168.15 |
| ChEBI | CHEBI:30816 |
| MDL Number | MFCD00002551 |
| SMILES | COC1=CC(=CC=C1O)C(O)=O |
| Synonym | vanillic acid,acide vanillique,p-vanillic acid,benzoic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxybenzoic acid,vanillate,m-anisic acid, 4-hydroxy,protocatechuic acid, 3-methyl ester,4-hydroxy-3-methoxy-benzoic acid,unii-gm8q3jm2y8 |
| IUPAC Name | 4-hydroxy-3-methoxybenzoic acid |
| InChI Key | WKOLLVMJNQIZCI-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
Valethamate Bromide 98.0+%, TCI America™
CAS: 90-22-2 Molecular Formula: C19H32BrNO2 Molecular Weight (g/mol): 386.37 MDL Number: MFCD00031617 InChI Key: CEJGGHKJHDHLAZ-UHFFFAOYNA-M Synonym: valethamate bromide,ediposin,epidosin,epidozin,resitan,murel,valethamate bromide jan,n,n-diethyl-n-methyl-2-3-methyl-2-phenylpentanoyl oxy ethanaminium bromide,diethyl methyl 2-3-methyl-2-phenylvaleryloxy ethyl ammonium bromide,2-diethylaminoethyl 2-phenyl-3-methylvalerate methyl bromide PubChem CID: 7010 IUPAC Name: diethyl(methyl){2-[(3-methyl-2-phenylpentanoyl)oxy]ethyl}azanium bromide SMILES: [Br-].CCC(C)C(C(=O)OCC[N+](C)(CC)CC)C1=CC=CC=C1
| PubChem CID | 7010 |
|---|---|
| CAS | 90-22-2 |
| Molecular Weight (g/mol) | 386.37 |
| MDL Number | MFCD00031617 |
| SMILES | [Br-].CCC(C)C(C(=O)OCC[N+](C)(CC)CC)C1=CC=CC=C1 |
| Synonym | valethamate bromide,ediposin,epidosin,epidozin,resitan,murel,valethamate bromide jan,n,n-diethyl-n-methyl-2-3-methyl-2-phenylpentanoyl oxy ethanaminium bromide,diethyl methyl 2-3-methyl-2-phenylvaleryloxy ethyl ammonium bromide,2-diethylaminoethyl 2-phenyl-3-methylvalerate methyl bromide |
| IUPAC Name | diethyl(methyl){2-[(3-methyl-2-phenylpentanoyl)oxy]ethyl}azanium bromide |
| InChI Key | CEJGGHKJHDHLAZ-UHFFFAOYNA-M |
| Molecular Formula | C19H32BrNO2 |
Tyrphostin RG 13022 98.0+%, TCI America™
CAS: 136831-48-6 Molecular Formula: C16H14N2O2 Molecular Weight (g/mol): 266.3 MDL Number: MFCD00236444 InChI Key: DBGZNJVTHYFQJI-RIYZIHGNSA-N Synonym: 3-(3,4-Dimethoxyphenyl)-2-(pyridin-3-yl)acrylonitrile PubChem CID: 5468216 IUPAC Name: (Z)-3-(3,4-dimethoxyphenyl)-2-pyridin-3-ylprop-2-enenitrile SMILES: COC1=C(C=C(C=C1)C=C(C#N)C2=CN=CC=C2)OC
| PubChem CID | 5468216 |
|---|---|
| CAS | 136831-48-6 |
| Molecular Weight (g/mol) | 266.3 |
| MDL Number | MFCD00236444 |
| SMILES | COC1=C(C=C(C=C1)C=C(C#N)C2=CN=CC=C2)OC |
| Synonym | 3-(3,4-Dimethoxyphenyl)-2-(pyridin-3-yl)acrylonitrile |
| IUPAC Name | (Z)-3-(3,4-dimethoxyphenyl)-2-pyridin-3-ylprop-2-enenitrile |
| InChI Key | DBGZNJVTHYFQJI-RIYZIHGNSA-N |
| Molecular Formula | C16H14N2O2 |
Tetrakis(4-bromophenyl)ethylene 97.0+%, TCI America™
CAS: 61326-44-1 Molecular Formula: C26H16Br4 Molecular Weight (g/mol): 648.03 MDL Number: MFCD00667761 InChI Key: BIRLDGKMJJEZRI-UHFFFAOYSA-N PubChem CID: 11828419 IUPAC Name: 1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene SMILES: BrC1=CC=C(C=C1)C(=C(C1=CC=C(Br)C=C1)C1=CC=C(Br)C=C1)C1=CC=C(Br)C=C1
| PubChem CID | 11828419 |
|---|---|
| CAS | 61326-44-1 |
| Molecular Weight (g/mol) | 648.03 |
| MDL Number | MFCD00667761 |
| SMILES | BrC1=CC=C(C=C1)C(=C(C1=CC=C(Br)C=C1)C1=CC=C(Br)C=C1)C1=CC=C(Br)C=C1 |
| IUPAC Name | 1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene |
| InChI Key | BIRLDGKMJJEZRI-UHFFFAOYSA-N |
| Molecular Formula | C26H16Br4 |
1-(o-Tolyl)piperazine 98.0+%, TCI America™
CAS: 39512-51-1 Molecular Formula: C11H16N2 Molecular Weight (g/mol): 176.263 MDL Number: MFCD00040729 InChI Key: WICKLEOONJPMEQ-UHFFFAOYSA-N Synonym: 1-2-methylphenyl piperazine,1-o-tolyl piperazine,4-2-methylphenyl piperazine,1-o-tolylpiperazine,piperazine, 1-2-methylphenyl,1-o-tolyl-piperazine,1-2-methylphenyl-piperazine,o-tolylpiperazine,2-methylphenylpiperazine,chembl9746 PubChem CID: 91965 IUPAC Name: 1-(2-methylphenyl)piperazine SMILES: CC1=CC=CC=C1N2CCNCC2
| PubChem CID | 91965 |
|---|---|
| CAS | 39512-51-1 |
| Molecular Weight (g/mol) | 176.263 |
| MDL Number | MFCD00040729 |
| SMILES | CC1=CC=CC=C1N2CCNCC2 |
| Synonym | 1-2-methylphenyl piperazine,1-o-tolyl piperazine,4-2-methylphenyl piperazine,1-o-tolylpiperazine,piperazine, 1-2-methylphenyl,1-o-tolyl-piperazine,1-2-methylphenyl-piperazine,o-tolylpiperazine,2-methylphenylpiperazine,chembl9746 |
| IUPAC Name | 1-(2-methylphenyl)piperazine |
| InChI Key | WICKLEOONJPMEQ-UHFFFAOYSA-N |
| Molecular Formula | C11H16N2 |
2-(Trifluoromethoxy)benzonitrile 98.0+%, TCI America™
CAS: 63968-85-4 Molecular Formula: C8H4F3NO Molecular Weight (g/mol): 187.121 MDL Number: MFCD00042409 InChI Key: ACNBBQGAWMHXLA-UHFFFAOYSA-N Synonym: 2-trifluoromethoxy benzonitrile,o-trifluoromethoxybenzonitrile,benzonitrile, 2-trifluoromethoxy,2-trifluoromethoxy benzenecarbonitrile,pubchem4824,acmc-1b9l5,ksc493e9p,o-trifluoromethoxy benzonitrile,acnbbqgawmhxla-uhfffaoysa PubChem CID: 2777232 IUPAC Name: 2-(trifluoromethoxy)benzonitrile SMILES: C1=CC=C(C(=C1)C#N)OC(F)(F)F
| PubChem CID | 2777232 |
|---|---|
| CAS | 63968-85-4 |
| Molecular Weight (g/mol) | 187.121 |
| MDL Number | MFCD00042409 |
| SMILES | C1=CC=C(C(=C1)C#N)OC(F)(F)F |
| Synonym | 2-trifluoromethoxy benzonitrile,o-trifluoromethoxybenzonitrile,benzonitrile, 2-trifluoromethoxy,2-trifluoromethoxy benzenecarbonitrile,pubchem4824,acmc-1b9l5,ksc493e9p,o-trifluoromethoxy benzonitrile,acnbbqgawmhxla-uhfffaoysa |
| IUPAC Name | 2-(trifluoromethoxy)benzonitrile |
| InChI Key | ACNBBQGAWMHXLA-UHFFFAOYSA-N |
| Molecular Formula | C8H4F3NO |
| PubChem CID | 2779329 |
|---|---|
| CAS | 182482-25-3 |
| MDL Number | MFCD01863169 |
| Physical Form | Crystalline Powder |
| TSCA | No |
| IUPAC Name | (2,4,6-trifluorophenyl)boronic acid |
| InChI Key | IPEIGKHHSZFAEW-UHFFFAOYSA-N |
| Molecular Formula | C6H4BF3O2 |
| Formula Weight | 175.90 |
| Melting Point | 235°C |
(Triphenylphosphoranylidene)ketene, TCI America™
CAS: 15596-07-3 Molecular Formula: C20H15OP Molecular Weight (g/mol): 302.313 MDL Number: MFCD00040613 InChI Key: MNASRBWCHRURHY-UHFFFAOYSA-N Synonym: Ketenylidene(triphenyl)phosphorane, Bestmann Ylide PubChem CID: 359581 IUPAC Name: 2-(triphenyl-$l^{5}-phosphanylidene)ethenone SMILES: C1=CC=C(C=C1)P(=C=C=O)(C2=CC=CC=C2)C3=CC=CC=C3
| PubChem CID | 359581 |
|---|---|
| CAS | 15596-07-3 |
| Molecular Weight (g/mol) | 302.313 |
| MDL Number | MFCD00040613 |
| SMILES | C1=CC=C(C=C1)P(=C=C=O)(C2=CC=CC=C2)C3=CC=CC=C3 |
| Synonym | Ketenylidene(triphenyl)phosphorane, Bestmann Ylide |
| IUPAC Name | 2-(triphenyl-$l^{5}-phosphanylidene)ethenone |
| InChI Key | MNASRBWCHRURHY-UHFFFAOYSA-N |
| Molecular Formula | C20H15OP |