Benzenoids
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4-tert-Butylbenzyl Chloride 89.0+%, TCI America™
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CAS: 19692-45-6 Molecular Formula: C11H15Cl Molecular Weight (g/mol): 182.69 MDL Number: MFCD00000918 InChI Key: WAXIFMGAKWIFDQ-UHFFFAOYSA-N Synonym: 4-tert-butylbenzyl chloride,1-tert-butyl-4-chloromethyl benzene,p-tert-butylbenzyl chloride,4-tert-butyl benzyl chloride,benzene, 1-chloromethyl-4-1,1-dimethylethyl,4-tert-butyl benzylchloride,p-t-butylbenzyl chloride,1-chloromethyl-4-tert-butylbenzene,p-tert-butyl-.alpha.-chlorotoluene PubChem CID: 88198 IUPAC Name: 1-tert-butyl-4-(chloromethyl)benzene SMILES: CC(C)(C)C1=CC=C(CCl)C=C1
| PubChem CID | 88198 |
|---|---|
| CAS | 19692-45-6 |
| Molecular Weight (g/mol) | 182.69 |
| MDL Number | MFCD00000918 |
| SMILES | CC(C)(C)C1=CC=C(CCl)C=C1 |
| Synonym | 4-tert-butylbenzyl chloride,1-tert-butyl-4-chloromethyl benzene,p-tert-butylbenzyl chloride,4-tert-butyl benzyl chloride,benzene, 1-chloromethyl-4-1,1-dimethylethyl,4-tert-butyl benzylchloride,p-t-butylbenzyl chloride,1-chloromethyl-4-tert-butylbenzene,p-tert-butyl-.alpha.-chlorotoluene |
| IUPAC Name | 1-tert-butyl-4-(chloromethyl)benzene |
| InChI Key | WAXIFMGAKWIFDQ-UHFFFAOYSA-N |
| Molecular Formula | C11H15Cl |
4-Dimethylaminobenzoic Acid 98.0+%, TCI America™
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CAS: 619-84-1 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00002537 InChI Key: YDIYEOMDOWUDTJ-UHFFFAOYSA-N Synonym: 4-dimethylamino benzoic acid,benzoic acid, 4-dimethylamino,benzoic acid, p-dimethylamino,p-dimethylaminobenzoic acid,n,n-dimethyl-p-aminobenzoic acid,n,n-dimethyl-4-aminobenzoic acid,p-n,n-dimethylamino benzoic acid,p-dimethylamino benzoic acid,unii-d1ma908ev0,4-n,n-dimethylamino benzoic acid PubChem CID: 12092 IUPAC Name: 4-(dimethylamino)benzoic acid SMILES: CN(C)C1=CC=C(C=C1)C(=O)O
| PubChem CID | 12092 |
|---|---|
| CAS | 619-84-1 |
| Molecular Weight (g/mol) | 165.192 |
| MDL Number | MFCD00002537 |
| SMILES | CN(C)C1=CC=C(C=C1)C(=O)O |
| Synonym | 4-dimethylamino benzoic acid,benzoic acid, 4-dimethylamino,benzoic acid, p-dimethylamino,p-dimethylaminobenzoic acid,n,n-dimethyl-p-aminobenzoic acid,n,n-dimethyl-4-aminobenzoic acid,p-n,n-dimethylamino benzoic acid,p-dimethylamino benzoic acid,unii-d1ma908ev0,4-n,n-dimethylamino benzoic acid |
| IUPAC Name | 4-(dimethylamino)benzoic acid |
| InChI Key | YDIYEOMDOWUDTJ-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
1-Benzyl-3-aminopyrrolidine 97.0+%, TCI America™
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CAS: 18471-40-4 Molecular Formula: C11H16N2 Molecular Weight (g/mol): 176.263 MDL Number: MFCD00059036 InChI Key: HBVNLKQGRZPGRP-UHFFFAOYSA-N Synonym: 3-Amino-1-benzylpyrrolidine PubChem CID: 2756613 IUPAC Name: 1-benzylpyrrolidin-3-amine SMILES: C1CN(CC1N)CC2=CC=CC=C2
| PubChem CID | 2756613 |
|---|---|
| CAS | 18471-40-4 |
| Molecular Weight (g/mol) | 176.263 |
| MDL Number | MFCD00059036 |
| SMILES | C1CN(CC1N)CC2=CC=CC=C2 |
| Synonym | 3-Amino-1-benzylpyrrolidine |
| IUPAC Name | 1-benzylpyrrolidin-3-amine |
| InChI Key | HBVNLKQGRZPGRP-UHFFFAOYSA-N |
| Molecular Formula | C11H16N2 |
4-Iodo-2-(trifluoromethyl)benzonitrile 98.0+%, TCI America™
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CAS: 101066-87-9 Molecular Formula: C8H3F3IN Molecular Weight (g/mol): 297.019 MDL Number: MFCD08458091 InChI Key: RBRTXKYFMXVIER-UHFFFAOYSA-N Synonym: 4-iodo-2-trifluoromethyl benzonitrile,2-cyano-5-iodobenzotrifluoride,benzonitrile, 4-iodo-2-trifluoromethyl,2-trifluoromethyl-4-iodobenzonitrile,4-cyano-3-trifluoromethyl-1-iodobenzene,4-cyano-3-trifluoromethyl iodobenzene,4-iodo-2-trifluoromethyl benzenecarbonitrile,pubchem4810,acmc-1bqw7,ksc494m4b PubChem CID: 16218337 IUPAC Name: 4-iodo-2-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1I)C(F)(F)F)C#N
| PubChem CID | 16218337 |
|---|---|
| CAS | 101066-87-9 |
| Molecular Weight (g/mol) | 297.019 |
| MDL Number | MFCD08458091 |
| SMILES | C1=CC(=C(C=C1I)C(F)(F)F)C#N |
| Synonym | 4-iodo-2-trifluoromethyl benzonitrile,2-cyano-5-iodobenzotrifluoride,benzonitrile, 4-iodo-2-trifluoromethyl,2-trifluoromethyl-4-iodobenzonitrile,4-cyano-3-trifluoromethyl-1-iodobenzene,4-cyano-3-trifluoromethyl iodobenzene,4-iodo-2-trifluoromethyl benzenecarbonitrile,pubchem4810,acmc-1bqw7,ksc494m4b |
| IUPAC Name | 4-iodo-2-(trifluoromethyl)benzonitrile |
| InChI Key | RBRTXKYFMXVIER-UHFFFAOYSA-N |
| Molecular Formula | C8H3F3IN |
(R)-(-)-1,2,3,4-Tetrahydro-1-naphthol 98.0+%, TCI America™
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CAS: 23357-45-1 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00063005 InChI Key: JAAJQSRLGAYGKZ-SNVBAGLBSA-N Synonym: (R)-(-)-alpha-Tetralol PubChem CID: 7058028 IUPAC Name: (1R)-1,2,3,4-tetrahydronaphthalen-1-ol SMILES: C1CC(C2=CC=CC=C2C1)O
| PubChem CID | 7058028 |
|---|---|
| CAS | 23357-45-1 |
| Molecular Weight (g/mol) | 148.205 |
| MDL Number | MFCD00063005 |
| SMILES | C1CC(C2=CC=CC=C2C1)O |
| Synonym | (R)-(-)-alpha-Tetralol |
| IUPAC Name | (1R)-1,2,3,4-tetrahydronaphthalen-1-ol |
| InChI Key | JAAJQSRLGAYGKZ-SNVBAGLBSA-N |
| Molecular Formula | C10H12O |
Methyl 2,6-Difluoro-3-nitrobenzoate 98.0+%, TCI America™
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CAS: 84832-01-9 Molecular Formula: C8H5F2NO4 Molecular Weight (g/mol): 217.128 MDL Number: MFCD07368850 InChI Key: CIHHBTMZOLRCRL-UHFFFAOYSA-N PubChem CID: 43449035 IUPAC Name: methyl 2,6-difluoro-3-nitrobenzoate SMILES: COC(=O)C1=C(C=CC(=C1F)[N+](=O)[O-])F
| PubChem CID | 43449035 |
|---|---|
| CAS | 84832-01-9 |
| Molecular Weight (g/mol) | 217.128 |
| MDL Number | MFCD07368850 |
| SMILES | COC(=O)C1=C(C=CC(=C1F)[N+](=O)[O-])F |
| IUPAC Name | methyl 2,6-difluoro-3-nitrobenzoate |
| InChI Key | CIHHBTMZOLRCRL-UHFFFAOYSA-N |
| Molecular Formula | C8H5F2NO4 |
1-(p-Tolyl)piperazine 98.0+%, TCI America™
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CAS: 39593-08-3 Molecular Formula: C11H16N2 Molecular Weight (g/mol): 176.263 MDL Number: MFCD00040737 InChI Key: ONEYFZXGNFNRJH-UHFFFAOYSA-N Synonym: 1-4-methylphenyl piperazine,1-p-tolyl piperazine,1-p-tolyl-piperazine,1-4-methylphenyl-piperazine,1-4-methyl phenyl piperazine,1-p-tolylpiperazine,acmc-1adtx,4-methylphenyl piperazine,4-4-methylphenyl piperazine,1-4-methyl-phenyl-piperazine PubChem CID: 83113 IUPAC Name: 1-(4-methylphenyl)piperazine SMILES: CC1=CC=C(C=C1)N2CCNCC2
| PubChem CID | 83113 |
|---|---|
| CAS | 39593-08-3 |
| Molecular Weight (g/mol) | 176.263 |
| MDL Number | MFCD00040737 |
| SMILES | CC1=CC=C(C=C1)N2CCNCC2 |
| Synonym | 1-4-methylphenyl piperazine,1-p-tolyl piperazine,1-p-tolyl-piperazine,1-4-methylphenyl-piperazine,1-4-methyl phenyl piperazine,1-p-tolylpiperazine,acmc-1adtx,4-methylphenyl piperazine,4-4-methylphenyl piperazine,1-4-methyl-phenyl-piperazine |
| IUPAC Name | 1-(4-methylphenyl)piperazine |
| InChI Key | ONEYFZXGNFNRJH-UHFFFAOYSA-N |
| Molecular Formula | C11H16N2 |
(S)-1-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-piperidinecarboxylic Acid 98.0+%, TCI America™
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CAS: 86069-86-5 Molecular Formula: C21H21NO4 Molecular Weight (g/mol): 351.402 MDL Number: MFCD00235898 InChI Key: CKLAZLINARHOTG-IBGZPJMESA-N Synonym: fmoc-l-homoproline,fmoc-l-pipecolic acid,fmoc-pip-oh,fmoc-hopro-oh,l-n-fmoc-pipecolic acid,fmoc-l-pip-oh,fmoc-pip,fmoc-l-piperidine-2-carboxylic acid,fmoc-s---piperidine-2-carboxylic acid,l-1-n-fmoc-pipecolinic acid PubChem CID: 983042 IUPAC Name: (2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carboxylic acid SMILES: C1CCN(C(C1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
| PubChem CID | 983042 |
|---|---|
| CAS | 86069-86-5 |
| Molecular Weight (g/mol) | 351.402 |
| MDL Number | MFCD00235898 |
| SMILES | C1CCN(C(C1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24 |
| Synonym | fmoc-l-homoproline,fmoc-l-pipecolic acid,fmoc-pip-oh,fmoc-hopro-oh,l-n-fmoc-pipecolic acid,fmoc-l-pip-oh,fmoc-pip,fmoc-l-piperidine-2-carboxylic acid,fmoc-s---piperidine-2-carboxylic acid,l-1-n-fmoc-pipecolinic acid |
| IUPAC Name | (2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carboxylic acid |
| InChI Key | CKLAZLINARHOTG-IBGZPJMESA-N |
| Molecular Formula | C21H21NO4 |
4-Fluoro-3-nitrophenyl Methyl Sulfone 98.0+%, TCI America™
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CAS: 453-72-5 Molecular Formula: C7H6FNO4S Molecular Weight (g/mol): 219.19 MDL Number: MFCD00025066 InChI Key: OUSNDSFSTBZESM-UHFFFAOYSA-N Synonym: 4-methylsulfonyl-2-nitrofluorobenzene,1-fluoro-4-methylsulfonyl-2-nitrobenzene,1-fluoro-4-methanesulfonyl-2-nitrobenzene,2-fluoro-5-methyl sulfonyl nitrobenzene,2-fluoro-5-methylsulphonylnitrobenzene,4-fluoro-3-nitrophenyl methyl sulfone,benzene,1-fluoro-4-methylsulfonyl-2-nitro,2-fluoro-5-methylsulfonylnitrobenzene,2-fluoro-5-methylsulphonyl nitrobenzene,1-fluoro-4-methylsulfonyl-2-nitro-benzene PubChem CID: 313137 IUPAC Name: 1-fluoro-4-methanesulfonyl-2-nitrobenzene SMILES: CS(=O)(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O
| PubChem CID | 313137 |
|---|---|
| CAS | 453-72-5 |
| Molecular Weight (g/mol) | 219.19 |
| MDL Number | MFCD00025066 |
| SMILES | CS(=O)(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O |
| Synonym | 4-methylsulfonyl-2-nitrofluorobenzene,1-fluoro-4-methylsulfonyl-2-nitrobenzene,1-fluoro-4-methanesulfonyl-2-nitrobenzene,2-fluoro-5-methyl sulfonyl nitrobenzene,2-fluoro-5-methylsulphonylnitrobenzene,4-fluoro-3-nitrophenyl methyl sulfone,benzene,1-fluoro-4-methylsulfonyl-2-nitro,2-fluoro-5-methylsulfonylnitrobenzene,2-fluoro-5-methylsulphonyl nitrobenzene,1-fluoro-4-methylsulfonyl-2-nitro-benzene |
| IUPAC Name | 1-fluoro-4-methanesulfonyl-2-nitrobenzene |
| InChI Key | OUSNDSFSTBZESM-UHFFFAOYSA-N |
| Molecular Formula | C7H6FNO4S |
(8-Quinolinolato)lithium 98.0+%, TCI America™
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CAS: 25387-93-3 Molecular Formula: C9H6LiNO Molecular Weight (g/mol): 151.093 MDL Number: MFCD00152778 InChI Key: FQHFBFXXYOQXMN-UHFFFAOYSA-M PubChem CID: 23686653 IUPAC Name: lithium;quinolin-8-olate SMILES: [Li+].C1=CC2=C(C(=C1)[O-])N=CC=C2
| PubChem CID | 23686653 |
|---|---|
| CAS | 25387-93-3 |
| Molecular Weight (g/mol) | 151.093 |
| MDL Number | MFCD00152778 |
| SMILES | [Li+].C1=CC2=C(C(=C1)[O-])N=CC=C2 |
| IUPAC Name | lithium;quinolin-8-olate |
| InChI Key | FQHFBFXXYOQXMN-UHFFFAOYSA-M |
| Molecular Formula | C9H6LiNO |
4,4'-Dihydroxyazobenzene 98.0+%, TCI America™
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CAS: 2050-16-0 Molecular Formula: C12H10N2O2 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00045778 InChI Key: LJIUQBUUZNTUQK-UHFFFAOYSA-N PubChem CID: 5385293 IUPAC Name: 4-[2-(4-hydroxyphenyl)hydrazin-1-ylidene]cyclohexa-2,5-dien-1-one SMILES: OC1=CC=C(NN=C2C=CC(=O)C=C2)C=C1
| PubChem CID | 5385293 |
|---|---|
| CAS | 2050-16-0 |
| Molecular Weight (g/mol) | 214.22 |
| MDL Number | MFCD00045778 |
| SMILES | OC1=CC=C(NN=C2C=CC(=O)C=C2)C=C1 |
| IUPAC Name | 4-[2-(4-hydroxyphenyl)hydrazin-1-ylidene]cyclohexa-2,5-dien-1-one |
| InChI Key | LJIUQBUUZNTUQK-UHFFFAOYSA-N |
| Molecular Formula | C12H10N2O2 |
2,7-Dihydroxynaphthalene 99.0+%, TCI America™
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CAS: 582-17-2 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.17 MDL Number: MFCD00004085 InChI Key: DFQICHCWIIJABH-UHFFFAOYSA-N Synonym: 2,7-dihydroxynaphthalene,2,7-naphthalenediol,naphthalenediol-2,7,unii-0to8e448ud,naphthalenediol-2,7 french,2,7-dihydroxy naphthalene,2,7-naphthalene diol,naphthalene-2-7-diol,2,7-dihdroxynaphthalene PubChem CID: 11397 IUPAC Name: naphthalene-2,7-diol SMILES: OC1=CC2=CC(O)=CC=C2C=C1
| PubChem CID | 11397 |
|---|---|
| CAS | 582-17-2 |
| Molecular Weight (g/mol) | 160.17 |
| MDL Number | MFCD00004085 |
| SMILES | OC1=CC2=CC(O)=CC=C2C=C1 |
| Synonym | 2,7-dihydroxynaphthalene,2,7-naphthalenediol,naphthalenediol-2,7,unii-0to8e448ud,naphthalenediol-2,7 french,2,7-dihydroxy naphthalene,2,7-naphthalene diol,naphthalene-2-7-diol,2,7-dihdroxynaphthalene |
| IUPAC Name | naphthalene-2,7-diol |
| InChI Key | DFQICHCWIIJABH-UHFFFAOYSA-N |
| Molecular Formula | C10H8O2 |
2-Bromo-5-iodotoluene 98.0+%, TCI America™
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CAS: 202865-85-8 Molecular Formula: C7H6BrI Molecular Weight (g/mol): 296.933 MDL Number: MFCD00070749 InChI Key: QSQOGKONVJDRNH-UHFFFAOYSA-N PubChem CID: 2735574 IUPAC Name: 1-bromo-4-iodo-2-methylbenzene SMILES: CC1=C(C=CC(=C1)I)Br
| PubChem CID | 2735574 |
|---|---|
| CAS | 202865-85-8 |
| Molecular Weight (g/mol) | 296.933 |
| MDL Number | MFCD00070749 |
| SMILES | CC1=C(C=CC(=C1)I)Br |
| IUPAC Name | 1-bromo-4-iodo-2-methylbenzene |
| InChI Key | QSQOGKONVJDRNH-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrI |
Tetrachlorobisphenol A 98.0+%, TCI America™
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CAS: 79-95-8 Molecular Formula: C15H12Cl4O2 Molecular Weight (g/mol): 366.059 MDL Number: MFCD00002178 InChI Key: KYPYTERUKNKOLP-UHFFFAOYSA-N Synonym: 2,2-Bis(3,5-dichloro-4-hydroxyphenyl)propane, 4,4′C-Isopropylidenebis(2,6-dichlorophenol) PubChem CID: 6619 ChEBI: CHEBI:35004 IUPAC Name: 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propan-2-yl]phenol SMILES: CC(C)(C1=CC(=C(C(=C1)Cl)O)Cl)C2=CC(=C(C(=C2)Cl)O)Cl
| PubChem CID | 6619 |
|---|---|
| CAS | 79-95-8 |
| Molecular Weight (g/mol) | 366.059 |
| ChEBI | CHEBI:35004 |
| MDL Number | MFCD00002178 |
| SMILES | CC(C)(C1=CC(=C(C(=C1)Cl)O)Cl)C2=CC(=C(C(=C2)Cl)O)Cl |
| Synonym | 2,2-Bis(3,5-dichloro-4-hydroxyphenyl)propane, 4,4′C-Isopropylidenebis(2,6-dichlorophenol) |
| IUPAC Name | 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propan-2-yl]phenol |
| InChI Key | KYPYTERUKNKOLP-UHFFFAOYSA-N |
| Molecular Formula | C15H12Cl4O2 |
m-Toluidine Hydrochloride 98.0+%, TCI America™
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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 |