Benzenoids
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Methyl 4-(Aminomethyl)benzoate Hydrochloride 98.0+%, TCI America™
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CAS: 6232-11-7 Molecular Formula: C9H12ClNO2 Molecular Weight (g/mol): 201.65 MDL Number: MFCD00182671 InChI Key: GIZCKBSSWNIUMZ-UHFFFAOYSA-N Synonym: methyl 4-aminomethyl benzoate hydrochloride,methyl 4-aminomethylbenzoate hydrochloride,methyl-4-aminomethyl benzoate hydrochloride,methyl 4-aminomethylbenzoate hcl,methyl 4-aminomethyl benzoate, hcl,4-aminomethyl benzoic acid methyl ester hydrochloride,methyl4-aminomethyl benzoatehydrochloride,methyl 4-aminomethyl-benzoate hydrochloride,4-aminomethyl benzoic acid methyl ester hcl,4-aminomethylbenzoic acid methyl ester hydrochloride PubChem CID: 2729253 IUPAC Name: methyl 4-(aminomethyl)benzoate;hydrochloride SMILES: COC(=O)C1=CC=C(C=C1)CN.Cl
| PubChem CID | 2729253 |
|---|---|
| CAS | 6232-11-7 |
| Molecular Weight (g/mol) | 201.65 |
| MDL Number | MFCD00182671 |
| SMILES | COC(=O)C1=CC=C(C=C1)CN.Cl |
| Synonym | methyl 4-aminomethyl benzoate hydrochloride,methyl 4-aminomethylbenzoate hydrochloride,methyl-4-aminomethyl benzoate hydrochloride,methyl 4-aminomethylbenzoate hcl,methyl 4-aminomethyl benzoate, hcl,4-aminomethyl benzoic acid methyl ester hydrochloride,methyl4-aminomethyl benzoatehydrochloride,methyl 4-aminomethyl-benzoate hydrochloride,4-aminomethyl benzoic acid methyl ester hcl,4-aminomethylbenzoic acid methyl ester hydrochloride |
| IUPAC Name | methyl 4-(aminomethyl)benzoate;hydrochloride |
| InChI Key | GIZCKBSSWNIUMZ-UHFFFAOYSA-N |
| Molecular Formula | C9H12ClNO2 |
4-(Trifluoromethoxy)aniline 98.0+%, TCI America™
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CAS: 461-82-5 Molecular Formula: C7H6F3NO Molecular Weight (g/mol): 177.126 MDL Number: MFCD00041314 InChI Key: XUJFOSLZQITUOI-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy aniline,4-trifluoromethoxy-phenylamine,4-trifluoromethoxy benzenamine,p-trifluoromethoxyaniline,4-trifluoroethoxy aniline,benzenamine, 4-trifluoromethoxy,unii-p40l42cvf6,alpha,alpha,alpha-trifluoro-p-anisidine,p-aminotrifluoromethoxybenzene,4-amino-alpha,alpha,alpha-trifluoroanisole PubChem CID: 600848 IUPAC Name: 4-(trifluoromethoxy)aniline SMILES: C1=CC(=CC=C1N)OC(F)(F)F
| PubChem CID | 600848 |
|---|---|
| CAS | 461-82-5 |
| Molecular Weight (g/mol) | 177.126 |
| MDL Number | MFCD00041314 |
| SMILES | C1=CC(=CC=C1N)OC(F)(F)F |
| Synonym | 4-trifluoromethoxy aniline,4-trifluoromethoxy-phenylamine,4-trifluoromethoxy benzenamine,p-trifluoromethoxyaniline,4-trifluoroethoxy aniline,benzenamine, 4-trifluoromethoxy,unii-p40l42cvf6,alpha,alpha,alpha-trifluoro-p-anisidine,p-aminotrifluoromethoxybenzene,4-amino-alpha,alpha,alpha-trifluoroanisole |
| IUPAC Name | 4-(trifluoromethoxy)aniline |
| InChI Key | XUJFOSLZQITUOI-UHFFFAOYSA-N |
| Molecular Formula | C7H6F3NO |
2-Amino-p-cresol 98.0+%, TCI America™
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CAS: 95-84-1 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.16 MDL Number: MFCD00007699 InChI Key: ZMXYNJXDULEQCK-UHFFFAOYSA-N Synonym: 2-amino-p-cresol,2-hydroxy-5-methylaniline,phenol, 2-amino-4-methyl,3-amino-4-hydroxytoluene,6-hydroxy-m-toluidine,4-methyl-2-aminophenol,5-methyl-2-hydroxyaniline,2-amino-4-cresol,p-cresol, 2-amino,2-amino-4-methyl-phenol PubChem CID: 7264 IUPAC Name: 2-amino-4-methylphenol SMILES: CC1=CC=C(O)C(N)=C1
| PubChem CID | 7264 |
|---|---|
| CAS | 95-84-1 |
| Molecular Weight (g/mol) | 123.16 |
| MDL Number | MFCD00007699 |
| SMILES | CC1=CC=C(O)C(N)=C1 |
| Synonym | 2-amino-p-cresol,2-hydroxy-5-methylaniline,phenol, 2-amino-4-methyl,3-amino-4-hydroxytoluene,6-hydroxy-m-toluidine,4-methyl-2-aminophenol,5-methyl-2-hydroxyaniline,2-amino-4-cresol,p-cresol, 2-amino,2-amino-4-methyl-phenol |
| IUPAC Name | 2-amino-4-methylphenol |
| InChI Key | ZMXYNJXDULEQCK-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
3-Bromomethylbenzonitrile 98.0+%, TCI America™
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CAS: 28188-41-2 Molecular Formula: C8H6BrN Molecular Weight (g/mol): 196.05 MDL Number: MFCD00001809 InChI Key: CVKOOKPNCVYHNY-UHFFFAOYSA-N Synonym: 3-bromomethyl benzonitrile,3-cyanobenzyl bromide,alpha-bromo-m-tolunitrile,m-cyanobenzyl bromide,benzonitrile, 3-bromomethyl,m-bromomethyl benzonitrile,alpha-bromo-m-toluonitrile,m-tolunitrile, .alpha.-bromo,a-bromo-m-tolunitrile,3-bromomethyl-benzonitrile PubChem CID: 97249 IUPAC Name: 3-(bromomethyl)benzonitrile SMILES: BrCC1=CC=CC(=C1)C#N
| PubChem CID | 97249 |
|---|---|
| CAS | 28188-41-2 |
| Molecular Weight (g/mol) | 196.05 |
| MDL Number | MFCD00001809 |
| SMILES | BrCC1=CC=CC(=C1)C#N |
| Synonym | 3-bromomethyl benzonitrile,3-cyanobenzyl bromide,alpha-bromo-m-tolunitrile,m-cyanobenzyl bromide,benzonitrile, 3-bromomethyl,m-bromomethyl benzonitrile,alpha-bromo-m-toluonitrile,m-tolunitrile, .alpha.-bromo,a-bromo-m-tolunitrile,3-bromomethyl-benzonitrile |
| IUPAC Name | 3-(bromomethyl)benzonitrile |
| InChI Key | CVKOOKPNCVYHNY-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrN |
3,5-Dibromobenzaldehyde 97.0+%, TCI America™
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CAS: 56990-02-4 Molecular Formula: C7H4Br2O Molecular Weight (g/mol): 263.916 MDL Number: MFCD00156887 InChI Key: ZLDMZIXUGCGKMB-UHFFFAOYSA-N Synonym: 3,5-dibromo-benzaldehyde,benzaldehyde, 3,5-dibromo,pubchem3069,acmc-209lvd,ksc493o2p,3,5-bis bromanyl benzaldehyde,paragos 530307,3,5-dibromo-phenyl-methanone PubChem CID: 622077 IUPAC Name: 3,5-dibromobenzaldehyde SMILES: C1=C(C=C(C=C1Br)Br)C=O
| PubChem CID | 622077 |
|---|---|
| CAS | 56990-02-4 |
| Molecular Weight (g/mol) | 263.916 |
| MDL Number | MFCD00156887 |
| SMILES | C1=C(C=C(C=C1Br)Br)C=O |
| Synonym | 3,5-dibromo-benzaldehyde,benzaldehyde, 3,5-dibromo,pubchem3069,acmc-209lvd,ksc493o2p,3,5-bis bromanyl benzaldehyde,paragos 530307,3,5-dibromo-phenyl-methanone |
| IUPAC Name | 3,5-dibromobenzaldehyde |
| InChI Key | ZLDMZIXUGCGKMB-UHFFFAOYSA-N |
| Molecular Formula | C7H4Br2O |
Clofibrate 98.0+%, TCI America™
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CAS: 637-07-0 Molecular Formula: C12H15ClO3 Molecular Weight (g/mol): 242.70 MDL Number: MFCD00000615 InChI Key: KNHUKKLJHYUCFP-UHFFFAOYSA-N Synonym: clofibrate,ethyl clofibrate,clofibratum,clofibrato,atromid-s,miscleron,atromid,liprin,epib,angiokapsul PubChem CID: 2796 ChEBI: CHEBI:3750 IUPAC Name: ethyl 2-(4-chlorophenoxy)-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1
| PubChem CID | 2796 |
|---|---|
| CAS | 637-07-0 |
| Molecular Weight (g/mol) | 242.70 |
| ChEBI | CHEBI:3750 |
| MDL Number | MFCD00000615 |
| SMILES | CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1 |
| Synonym | clofibrate,ethyl clofibrate,clofibratum,clofibrato,atromid-s,miscleron,atromid,liprin,epib,angiokapsul |
| IUPAC Name | ethyl 2-(4-chlorophenoxy)-2-methylpropanoate |
| InChI Key | KNHUKKLJHYUCFP-UHFFFAOYSA-N |
| Molecular Formula | C12H15ClO3 |
1-Bromo-3-isopropoxybenzene 98.0+%, TCI America™
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CAS: 131738-73-3 Molecular Formula: C9H11BrO Molecular Weight (g/mol): 215.09 MDL Number: MFCD00070756 InChI Key: JYWJZIQSPRFCDB-UHFFFAOYSA-N Synonym: 1-bromo-3-isopropoxybenzene,3-bromophenyl isopropyl ether,1-bromo-3-propan-2-yloxy benzene,3-bromo-isopropoxybenzene,3-bromoisoproproxylbenzene,2-3-bromophenoxy propane,3-bromoisopropoxybenzene,3-bromo phenyl isopropyl ether,benzene, 1-bromo-3-1-methylethoxy,pubchem14867 PubChem CID: 3260801 IUPAC Name: 1-bromo-3-(propan-2-yloxy)benzene SMILES: CC(C)OC1=CC(Br)=CC=C1
| PubChem CID | 3260801 |
|---|---|
| CAS | 131738-73-3 |
| Molecular Weight (g/mol) | 215.09 |
| MDL Number | MFCD00070756 |
| SMILES | CC(C)OC1=CC(Br)=CC=C1 |
| Synonym | 1-bromo-3-isopropoxybenzene,3-bromophenyl isopropyl ether,1-bromo-3-propan-2-yloxy benzene,3-bromo-isopropoxybenzene,3-bromoisoproproxylbenzene,2-3-bromophenoxy propane,3-bromoisopropoxybenzene,3-bromo phenyl isopropyl ether,benzene, 1-bromo-3-1-methylethoxy,pubchem14867 |
| IUPAC Name | 1-bromo-3-(propan-2-yloxy)benzene |
| InChI Key | JYWJZIQSPRFCDB-UHFFFAOYSA-N |
| Molecular Formula | C9H11BrO |
2-(Methylthio)aniline 97.0+%, TCI America™
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CAS: 2987-53-3 Molecular Formula: C7H9NS Molecular Weight (g/mol): 139.216 MDL Number: MFCD00007708 InChI Key: WBRPQQSADOCKCH-UHFFFAOYSA-N Synonym: 2-methylthio aniline,2-aminothioanisole,2-methylsulfanyl aniline,2-methylmercaptoaniline,2-methylmercapto aniline,o-thioanisidine,o-aminothioanisole,2-amino thioanisole,benzenamine, 2-methylthio,o-methylthio aniline PubChem CID: 76337 IUPAC Name: 2-methylsulfanylaniline SMILES: CSC1=CC=CC=C1N
| PubChem CID | 76337 |
|---|---|
| CAS | 2987-53-3 |
| Molecular Weight (g/mol) | 139.216 |
| MDL Number | MFCD00007708 |
| SMILES | CSC1=CC=CC=C1N |
| Synonym | 2-methylthio aniline,2-aminothioanisole,2-methylsulfanyl aniline,2-methylmercaptoaniline,2-methylmercapto aniline,o-thioanisidine,o-aminothioanisole,2-amino thioanisole,benzenamine, 2-methylthio,o-methylthio aniline |
| IUPAC Name | 2-methylsulfanylaniline |
| InChI Key | WBRPQQSADOCKCH-UHFFFAOYSA-N |
| Molecular Formula | C7H9NS |
2-Benzyloxybenzyl Alcohol 97.0+%, TCI America™
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CAS: 3381-87-1 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.264 InChI Key: XRZMRABYCSOXIZ-UHFFFAOYSA-N PubChem CID: 18811 IUPAC Name: (2-phenylmethoxyphenyl)methanol SMILES: C1=CC=C(C=C1)COC2=CC=CC=C2CO
| PubChem CID | 18811 |
|---|---|
| CAS | 3381-87-1 |
| Molecular Weight (g/mol) | 214.264 |
| SMILES | C1=CC=C(C=C1)COC2=CC=CC=C2CO |
| IUPAC Name | (2-phenylmethoxyphenyl)methanol |
| InChI Key | XRZMRABYCSOXIZ-UHFFFAOYSA-N |
| Molecular Formula | C14H14O2 |
N,N'-Diacetyl-1,4-phenylenediamine 98.0+%, TCI America™
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CAS: 140-50-1 Molecular Formula: C10H12N2O2 Molecular Weight (g/mol): 192.218 MDL Number: MFCD00026142 InChI Key: KVEDKKLZCJBVNP-UHFFFAOYSA-N Synonym: 1,4-diacetamidobenzene,n,n'-diacetyl-1,4-phenylenediamine,n,n'-p-phenylenebisacetamide,p-phenylenediacetamide,n,n'-diacetyl-p-phenylenediamine,4'-acetamidoacetanilide,1,4-bisacetamidobenzene,acetamide, n,n'-1,4-phenylenebis,n-4-acetamidophenyl acetamide,n,n'-p-phenylene di acetamide PubChem CID: 67324 IUPAC Name: N-(4-acetamidophenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)NC(=O)C
| PubChem CID | 67324 |
|---|---|
| CAS | 140-50-1 |
| Molecular Weight (g/mol) | 192.218 |
| MDL Number | MFCD00026142 |
| SMILES | CC(=O)NC1=CC=C(C=C1)NC(=O)C |
| Synonym | 1,4-diacetamidobenzene,n,n'-diacetyl-1,4-phenylenediamine,n,n'-p-phenylenebisacetamide,p-phenylenediacetamide,n,n'-diacetyl-p-phenylenediamine,4'-acetamidoacetanilide,1,4-bisacetamidobenzene,acetamide, n,n'-1,4-phenylenebis,n-4-acetamidophenyl acetamide,n,n'-p-phenylene di acetamide |
| IUPAC Name | N-(4-acetamidophenyl)acetamide |
| InChI Key | KVEDKKLZCJBVNP-UHFFFAOYSA-N |
| Molecular Formula | C10H12N2O2 |
2,6-Bis(hydroxymethyl)-p-cresol 98.0+%, TCI America™
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CAS: 91-04-3 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.192 MDL Number: MFCD00004619 InChI Key: KUMMBDBTERQYCG-UHFFFAOYSA-N Synonym: 2,6-bis hydroxymethyl-4-methylphenol,2,6-bis hydroxymethyl-p-cresol,2,6-dimethylol-p-cresol,2-hydroxy-5-methyl-1,3-phenylene dimethanol,2,6-dimethylol-4-methylphenol,2,6-di hydroxymethyl-p-cresol,1,3-benzenedimethanol, 2-hydroxy-5-methyl,2-hydroxy-5-methyl-1,3-benzenedimethanol,3,5-bis hydroxymethyl-p-cresol,alpha1,alpha,2-trihydroxymesitylene PubChem CID: 7039 IUPAC Name: 2,6-bis(hydroxymethyl)-4-methylphenol SMILES: CC1=CC(=C(C(=C1)CO)O)CO
| PubChem CID | 7039 |
|---|---|
| CAS | 91-04-3 |
| Molecular Weight (g/mol) | 168.192 |
| MDL Number | MFCD00004619 |
| SMILES | CC1=CC(=C(C(=C1)CO)O)CO |
| Synonym | 2,6-bis hydroxymethyl-4-methylphenol,2,6-bis hydroxymethyl-p-cresol,2,6-dimethylol-p-cresol,2-hydroxy-5-methyl-1,3-phenylene dimethanol,2,6-dimethylol-4-methylphenol,2,6-di hydroxymethyl-p-cresol,1,3-benzenedimethanol, 2-hydroxy-5-methyl,2-hydroxy-5-methyl-1,3-benzenedimethanol,3,5-bis hydroxymethyl-p-cresol,alpha1,alpha,2-trihydroxymesitylene |
| IUPAC Name | 2,6-bis(hydroxymethyl)-4-methylphenol |
| InChI Key | KUMMBDBTERQYCG-UHFFFAOYSA-N |
| Molecular Formula | C9H12O3 |
4-Nitrocatechol 98.0+%, TCI America™
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CAS: 3316-09-4 Molecular Formula: C6H5NO4 Molecular Weight (g/mol): 155.11 MDL Number: MFCD00007242 InChI Key: XJNPNXSISMKQEX-UHFFFAOYSA-N Synonym: 4-nitrocatechol,4-nitropyrocatechol,1,2-dihydroxy-4-nitrobenzene,4-nitro-1,2-benzenediol,3,4-dihydroxy-1-nitrobenzene,unii-sw60ng75en,sw60ng75en,1,2-benzenediol, 4-nitro,nitrocatechol mix of isomers,4nc PubChem CID: 3505109 ChEBI: CHEBI:16318 IUPAC Name: 4-nitrobenzene-1,2-diol SMILES: C1=CC(=C(C=C1[N+](=O)[O-])O)O
| PubChem CID | 3505109 |
|---|---|
| CAS | 3316-09-4 |
| Molecular Weight (g/mol) | 155.11 |
| ChEBI | CHEBI:16318 |
| MDL Number | MFCD00007242 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])O)O |
| Synonym | 4-nitrocatechol,4-nitropyrocatechol,1,2-dihydroxy-4-nitrobenzene,4-nitro-1,2-benzenediol,3,4-dihydroxy-1-nitrobenzene,unii-sw60ng75en,sw60ng75en,1,2-benzenediol, 4-nitro,nitrocatechol mix of isomers,4nc |
| IUPAC Name | 4-nitrobenzene-1,2-diol |
| InChI Key | XJNPNXSISMKQEX-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO4 |
3,4,4'-Triaminodiphenyl Ether 98.0+%, TCI America™
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CAS: 6264-66-0 Molecular Formula: C12H13N3O Molecular Weight (g/mol): 215.256 MDL Number: MFCD00191504 InChI Key: MPKIJEUTPZPJFP-UHFFFAOYSA-N PubChem CID: 80434 IUPAC Name: 4-(4-aminophenoxy)benzene-1,2-diamine SMILES: C1=CC(=CC=C1N)OC2=CC(=C(C=C2)N)N
| PubChem CID | 80434 |
|---|---|
| CAS | 6264-66-0 |
| Molecular Weight (g/mol) | 215.256 |
| MDL Number | MFCD00191504 |
| SMILES | C1=CC(=CC=C1N)OC2=CC(=C(C=C2)N)N |
| IUPAC Name | 4-(4-aminophenoxy)benzene-1,2-diamine |
| InChI Key | MPKIJEUTPZPJFP-UHFFFAOYSA-N |
| Molecular Formula | C12H13N3O |
4-Chloro-3-methoxybenzoic Acid 98.0+%, TCI America™
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CAS: 85740-98-3 Molecular Formula: C8H7ClO3 Molecular Weight (g/mol): 186.591 MDL Number: MFCD00269640 InChI Key: OXUUNDMDOOXPKY-UHFFFAOYSA-N Synonym: 4-Chloro-m-anisic Acid PubChem CID: 2063378 IUPAC Name: 4-chloro-3-methoxybenzoic acid SMILES: COC1=C(C=CC(=C1)C(=O)O)Cl
| PubChem CID | 2063378 |
|---|---|
| CAS | 85740-98-3 |
| Molecular Weight (g/mol) | 186.591 |
| MDL Number | MFCD00269640 |
| SMILES | COC1=C(C=CC(=C1)C(=O)O)Cl |
| Synonym | 4-Chloro-m-anisic Acid |
| IUPAC Name | 4-chloro-3-methoxybenzoic acid |
| InChI Key | OXUUNDMDOOXPKY-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO3 |
1,8-Bis(diphenylphosphinyl)naphthalene 98.0+%, TCI America™
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CAS: 316808-41-0 Molecular Formula: C34H26O2P2 Molecular Weight (g/mol): 528.528 InChI Key: XNKIEKXYLNHGBX-UHFFFAOYSA-N Synonym: Naphthalene-1,8-diylbis(diphenylphosphine Oxide) PubChem CID: 58555919 IUPAC Name: 1,8-bis(diphenylphosphoryl)naphthalene SMILES: C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC4=C3C(=CC=C4)P(=O)(C5=CC=CC=C5)C6=CC=CC=C6
| PubChem CID | 58555919 |
|---|---|
| CAS | 316808-41-0 |
| Molecular Weight (g/mol) | 528.528 |
| SMILES | C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC4=C3C(=CC=C4)P(=O)(C5=CC=CC=C5)C6=CC=CC=C6 |
| Synonym | Naphthalene-1,8-diylbis(diphenylphosphine Oxide) |
| IUPAC Name | 1,8-bis(diphenylphosphoryl)naphthalene |
| InChI Key | XNKIEKXYLNHGBX-UHFFFAOYSA-N |
| Molecular Formula | C34H26O2P2 |