Benzene and substituted derivatives
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2,2'-Methylenebis(6-tert-butyl-p-cresol) 99.0+%, TCI America™
CAS: 119-47-1 Molecular Formula: C23H32O2 Molecular Weight (g/mol): 340.51 MDL Number: MFCD00043641 InChI Key: KGRVJHAUYBGFFP-UHFFFAOYSA-N PubChem CID: 8398 IUPAC Name: 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol SMILES: CC1=CC(CC2=CC(C)=CC(=C2O)C(C)(C)C)=C(O)C(=C1)C(C)(C)C
| PubChem CID | 8398 |
|---|---|
| CAS | 119-47-1 |
| Molecular Weight (g/mol) | 340.51 |
| MDL Number | MFCD00043641 |
| SMILES | CC1=CC(CC2=CC(C)=CC(=C2O)C(C)(C)C)=C(O)C(=C1)C(C)(C)C |
| IUPAC Name | 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol |
| InChI Key | KGRVJHAUYBGFFP-UHFFFAOYSA-N |
| Molecular Formula | C23H32O2 |
2-Methyl-4-nitrobenzonitrile 98.0+%, TCI America™
CAS: 89001-53-6 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD03095378 InChI Key: RNTFKDBRMXYEPR-UHFFFAOYSA-N Synonym: 4-Nitro-o-tolunitrile PubChem CID: 4346367 IUPAC Name: 2-methyl-4-nitrobenzonitrile SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])C#N
| PubChem CID | 4346367 |
|---|---|
| CAS | 89001-53-6 |
| Molecular Weight (g/mol) | 162.148 |
| MDL Number | MFCD03095378 |
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])C#N |
| Synonym | 4-Nitro-o-tolunitrile |
| IUPAC Name | 2-methyl-4-nitrobenzonitrile |
| InChI Key | RNTFKDBRMXYEPR-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O2 |
1-Bromo-2-nitrobenzene 99.0+%, TCI America™
CAS: 577-19-5 Molecular Formula: C6H4BrNO2 Molecular Weight (g/mol): 202.007 MDL Number: MFCD00007045 InChI Key: ORPVVAKYSXQCJI-UHFFFAOYSA-N Synonym: 2-bromonitrobenzene,o-bromonitrobenzene,o-nitrobromobenzene,2-nitrobromobenzene,benzene, 1-bromo-2-nitro,o-nitrophenyl bromide,2-bromo-1-nitrobenzene,1-bromo-2-nitro-benzene,2-bromo nitrobenzene,benzene, bromonitro PubChem CID: 11341 IUPAC Name: 1-bromo-2-nitrobenzene SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])Br
| PubChem CID | 11341 |
|---|---|
| CAS | 577-19-5 |
| Molecular Weight (g/mol) | 202.007 |
| MDL Number | MFCD00007045 |
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])Br |
| Synonym | 2-bromonitrobenzene,o-bromonitrobenzene,o-nitrobromobenzene,2-nitrobromobenzene,benzene, 1-bromo-2-nitro,o-nitrophenyl bromide,2-bromo-1-nitrobenzene,1-bromo-2-nitro-benzene,2-bromo nitrobenzene,benzene, bromonitro |
| IUPAC Name | 1-bromo-2-nitrobenzene |
| InChI Key | ORPVVAKYSXQCJI-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrNO2 |
Benactyzine Hydrochloride 98.0+%, TCI America™
CAS: 57-37-4 Molecular Formula: C20H26ClNO3 Molecular Weight (g/mol): 363.88 MDL Number: MFCD00012624 InChI Key: ZCEHOOLYWQBGQO-UHFFFAOYSA-N Synonym: benactyzine hydrochloride,neuroleptone,tranquilline,amitakon,benaktin,destendo,ibiotyzil,leucidil,nervacton,nervatil PubChem CID: 66448 IUPAC Name: hydrogen 2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate chloride SMILES: [H+].[Cl-].CCN(CC)CCOC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 66448 |
|---|---|
| CAS | 57-37-4 |
| Molecular Weight (g/mol) | 363.88 |
| MDL Number | MFCD00012624 |
| SMILES | [H+].[Cl-].CCN(CC)CCOC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | benactyzine hydrochloride,neuroleptone,tranquilline,amitakon,benaktin,destendo,ibiotyzil,leucidil,nervacton,nervatil |
| IUPAC Name | hydrogen 2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate chloride |
| InChI Key | ZCEHOOLYWQBGQO-UHFFFAOYSA-N |
| Molecular Formula | C20H26ClNO3 |
N-tert-Butylbenzylamine 96.0+%, TCI America™
CAS: 3378-72-1 Molecular Formula: C11H17N Molecular Weight (g/mol): 163.264 MDL Number: MFCD00008798 InChI Key: DLSOILHAKCBARI-UHFFFAOYSA-N Synonym: n-tert-butyl benzylamine,n-tert-butylbenzylamine,n-benzyl-tert-butylamine,tert-butylbenzylamine,n-t-butylbenzylamine,benzenemethanamine, n-1,1-dimethylethyl,benzyl tert-butyl amine,tert-butyl benzylamine,t-butylbenzylamine,n-1,1-dimethylethyl benzylamine PubChem CID: 76908 IUPAC Name: N-benzyl-2-methylpropan-2-amine SMILES: CC(C)(C)NCC1=CC=CC=C1
| PubChem CID | 76908 |
|---|---|
| CAS | 3378-72-1 |
| Molecular Weight (g/mol) | 163.264 |
| MDL Number | MFCD00008798 |
| SMILES | CC(C)(C)NCC1=CC=CC=C1 |
| Synonym | n-tert-butyl benzylamine,n-tert-butylbenzylamine,n-benzyl-tert-butylamine,tert-butylbenzylamine,n-t-butylbenzylamine,benzenemethanamine, n-1,1-dimethylethyl,benzyl tert-butyl amine,tert-butyl benzylamine,t-butylbenzylamine,n-1,1-dimethylethyl benzylamine |
| IUPAC Name | N-benzyl-2-methylpropan-2-amine |
| InChI Key | DLSOILHAKCBARI-UHFFFAOYSA-N |
| Molecular Formula | C11H17N |
3-Bromofluorobenzene 98.0+%, TCI America™
CAS: 1073-06-9 Molecular Formula: C6H4BrF Molecular Weight (g/mol): 175 MDL Number: MFCD00000326 InChI Key: QDFKKJYEIFBEFC-UHFFFAOYSA-N Synonym: 3-bromofluorobenzene,m-bromofluorobenzene,m-fluorobromobenzene,benzene, 1-bromo-3-fluoro,3-bromfluorbenzen,3-fluorobromobenzene,m-fluorophenyl bromide,1-fluoro-3-bromobenzene,3-fluoro bromobenzene,benzene, 1-fluoro-3-bromo PubChem CID: 14082 IUPAC Name: 1-bromo-3-fluorobenzene SMILES: C1=CC(=CC(=C1)Br)F
| PubChem CID | 14082 |
|---|---|
| CAS | 1073-06-9 |
| Molecular Weight (g/mol) | 175 |
| MDL Number | MFCD00000326 |
| SMILES | C1=CC(=CC(=C1)Br)F |
| Synonym | 3-bromofluorobenzene,m-bromofluorobenzene,m-fluorobromobenzene,benzene, 1-bromo-3-fluoro,3-bromfluorbenzen,3-fluorobromobenzene,m-fluorophenyl bromide,1-fluoro-3-bromobenzene,3-fluoro bromobenzene,benzene, 1-fluoro-3-bromo |
| IUPAC Name | 1-bromo-3-fluorobenzene |
| InChI Key | QDFKKJYEIFBEFC-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrF |
4,4'-Biphenyldicarbonitrile 97.0+%, TCI America™
CAS: 1591-30-6 Molecular Formula: C14H8N2 Molecular Weight (g/mol): 204.232 MDL Number: MFCD00013805 InChI Key: KAXYYLCSSXFXKR-UHFFFAOYSA-N Synonym: 4,4'-biphenyldicarbonitrile,1,1'-biphenyl-4,4'-dicarbonitrile,4,4'-dicyanobiphenyl,biphenyl-4,4'-dicarbonitrile,4,4'-dicyanodiphenyl,4,4'-diphenyldicarbonitrile,4-4-cyanophenyl benzonitrile,4-4-cyanophenyl benzenecarbonitrile PubChem CID: 15321 IUPAC Name: 4-(4-cyanophenyl)benzonitrile SMILES: C1=CC(=CC=C1C#N)C2=CC=C(C=C2)C#N
| PubChem CID | 15321 |
|---|---|
| CAS | 1591-30-6 |
| Molecular Weight (g/mol) | 204.232 |
| MDL Number | MFCD00013805 |
| SMILES | C1=CC(=CC=C1C#N)C2=CC=C(C=C2)C#N |
| Synonym | 4,4'-biphenyldicarbonitrile,1,1'-biphenyl-4,4'-dicarbonitrile,4,4'-dicyanobiphenyl,biphenyl-4,4'-dicarbonitrile,4,4'-dicyanodiphenyl,4,4'-diphenyldicarbonitrile,4-4-cyanophenyl benzonitrile,4-4-cyanophenyl benzenecarbonitrile |
| IUPAC Name | 4-(4-cyanophenyl)benzonitrile |
| InChI Key | KAXYYLCSSXFXKR-UHFFFAOYSA-N |
| Molecular Formula | C14H8N2 |
2-Naphthyl Benzoate 98.0+%, TCI America™
CAS: 93-44-7 Molecular Formula: C17H12O2 Molecular Weight (g/mol): 248.281 MDL Number: MFCD00014320 InChI Key: DWJIJRSTYFPKGD-UHFFFAOYSA-N Synonym: 2-naphthyl benzoate,benzonaphthol,2-naphthalenol, benzoate,betabenzon,2-benzoyloxynaphthalene,2-naphthylbenzoate,2-naphthol benzoate,beta-naphthol benzoate,beta-naphthyl benzoate,benzoic acid 2-naphthyl ester PubChem CID: 66734 IUPAC Name: naphthalen-2-yl benzoate SMILES: C1=CC=C(C=C1)C(=O)OC2=CC3=CC=CC=C3C=C2
| PubChem CID | 66734 |
|---|---|
| CAS | 93-44-7 |
| Molecular Weight (g/mol) | 248.281 |
| MDL Number | MFCD00014320 |
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC3=CC=CC=C3C=C2 |
| Synonym | 2-naphthyl benzoate,benzonaphthol,2-naphthalenol, benzoate,betabenzon,2-benzoyloxynaphthalene,2-naphthylbenzoate,2-naphthol benzoate,beta-naphthol benzoate,beta-naphthyl benzoate,benzoic acid 2-naphthyl ester |
| IUPAC Name | naphthalen-2-yl benzoate |
| InChI Key | DWJIJRSTYFPKGD-UHFFFAOYSA-N |
| Molecular Formula | C17H12O2 |
1-Benzyl-3-acetamidopyrrolidine 98.0+%, TCI America™
CAS: 28506-01-6 Molecular Formula: C13H18N2O Molecular Weight (g/mol): 218.3 MDL Number: MFCD00059037 InChI Key: CMSWETNAAPYFSH-UHFFFAOYSA-N Synonym: 3-Acetamido-1-benzylpyrrolidine PubChem CID: 4198339 IUPAC Name: N-(1-benzylpyrrolidin-3-yl)acetamide SMILES: CC(=O)NC1CCN(C1)CC2=CC=CC=C2
| PubChem CID | 4198339 |
|---|---|
| CAS | 28506-01-6 |
| Molecular Weight (g/mol) | 218.3 |
| MDL Number | MFCD00059037 |
| SMILES | CC(=O)NC1CCN(C1)CC2=CC=CC=C2 |
| Synonym | 3-Acetamido-1-benzylpyrrolidine |
| IUPAC Name | N-(1-benzylpyrrolidin-3-yl)acetamide |
| InChI Key | CMSWETNAAPYFSH-UHFFFAOYSA-N |
| Molecular Formula | C13H18N2O |
2-Bromo-4-fluoroaniline 98.0+%, TCI America™
CAS: 1003-98-1 Molecular Formula: C6H5BrFN Molecular Weight (g/mol): 190.015 MDL Number: MFCD00042462 InChI Key: YLMFXCIATJJKQL-UHFFFAOYSA-N Synonym: 2-bromo-4-fluorobenzenamine,4-fluoro-2-bromoaniline,2-bromo-4-fluoro-aniline,benzenamine, 2-bromo-4-fluoro,2-bromo-4-fluoro-phenylamine,2-bromo-4-fluoro aniline,2-bromo-4-fluorophenylamine,2-brom-4-fluoranilin,bromofluoroaniline1,pubchem2918 PubChem CID: 242873 IUPAC Name: 2-bromo-4-fluoroaniline SMILES: C1=CC(=C(C=C1F)Br)N
| PubChem CID | 242873 |
|---|---|
| CAS | 1003-98-1 |
| Molecular Weight (g/mol) | 190.015 |
| MDL Number | MFCD00042462 |
| SMILES | C1=CC(=C(C=C1F)Br)N |
| Synonym | 2-bromo-4-fluorobenzenamine,4-fluoro-2-bromoaniline,2-bromo-4-fluoro-aniline,benzenamine, 2-bromo-4-fluoro,2-bromo-4-fluoro-phenylamine,2-bromo-4-fluoro aniline,2-bromo-4-fluorophenylamine,2-brom-4-fluoranilin,bromofluoroaniline1,pubchem2918 |
| IUPAC Name | 2-bromo-4-fluoroaniline |
| InChI Key | YLMFXCIATJJKQL-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrFN |
1-Bromo-4-dodecylbenzene 95.0+%, TCI America™
CAS: 126930-72-1 Molecular Formula: C18H29Br Molecular Weight (g/mol): 325.334 MDL Number: MFCD00191386 InChI Key: RFFMRBISTZHCNY-UHFFFAOYSA-N Synonym: 4-dodecylbromobenzene,1-bromo-4-n-dodecylbenzene,benzene, 1-bromo-4-dodecyl,4-bromododecylbenzene,pubchem22735,acmc-209bby,1-bromo-4-dodecyl-benzene,ksc494g6d,4-n-dodecylbromobenzene PubChem CID: 15120506 IUPAC Name: 1-bromo-4-dodecylbenzene SMILES: CCCCCCCCCCCCC1=CC=C(C=C1)Br
| PubChem CID | 15120506 |
|---|---|
| CAS | 126930-72-1 |
| Molecular Weight (g/mol) | 325.334 |
| MDL Number | MFCD00191386 |
| SMILES | CCCCCCCCCCCCC1=CC=C(C=C1)Br |
| Synonym | 4-dodecylbromobenzene,1-bromo-4-n-dodecylbenzene,benzene, 1-bromo-4-dodecyl,4-bromododecylbenzene,pubchem22735,acmc-209bby,1-bromo-4-dodecyl-benzene,ksc494g6d,4-n-dodecylbromobenzene |
| IUPAC Name | 1-bromo-4-dodecylbenzene |
| InChI Key | RFFMRBISTZHCNY-UHFFFAOYSA-N |
| Molecular Formula | C18H29Br |
1-Bromo-4-butylbenzene 97.0+%, TCI America™
CAS: 41492-05-1 Molecular Formula: C10H13Br Molecular Weight (g/mol): 213.118 MDL Number: MFCD00040934 InChI Key: BRGVKVZXDWGJBX-UHFFFAOYSA-N Synonym: 1-bromo-4-n-butylbenzene,4-bromo-n-butylbenzene,4-n-butylbromobenzene,1-4-bromophenyl butane,benzene, 1-bromo-4-butyl,4-butyl bromobenzene,4-butyl-bromobenzene,4-1-butylbromobenzene,4-butyl phenylbromide,pubchem15109 PubChem CID: 521059 IUPAC Name: 1-bromo-4-butylbenzene SMILES: CCCCC1=CC=C(C=C1)Br
| PubChem CID | 521059 |
|---|---|
| CAS | 41492-05-1 |
| Molecular Weight (g/mol) | 213.118 |
| MDL Number | MFCD00040934 |
| SMILES | CCCCC1=CC=C(C=C1)Br |
| Synonym | 1-bromo-4-n-butylbenzene,4-bromo-n-butylbenzene,4-n-butylbromobenzene,1-4-bromophenyl butane,benzene, 1-bromo-4-butyl,4-butyl bromobenzene,4-butyl-bromobenzene,4-1-butylbromobenzene,4-butyl phenylbromide,pubchem15109 |
| IUPAC Name | 1-bromo-4-butylbenzene |
| InChI Key | BRGVKVZXDWGJBX-UHFFFAOYSA-N |
| Molecular Formula | C10H13Br |
Bis[4-(2-hydroxyethoxy)phenyl] Sulfone 97.0+%, TCI America™
CAS: 27205-03-4 Molecular Formula: C16H18O6S Molecular Weight (g/mol): 338.374 MDL Number: MFCD00130282 InChI Key: UTNSTOOXQPHXJQ-UHFFFAOYSA-N Synonym: 4-(2-Hydroxyethoxy)phenyl Sulfone PubChem CID: 95071 IUPAC Name: 2-[4-[4-(2-hydroxyethoxy)phenyl]sulfonylphenoxy]ethanol SMILES: C1=CC(=CC=C1OCCO)S(=O)(=O)C2=CC=C(C=C2)OCCO
| PubChem CID | 95071 |
|---|---|
| CAS | 27205-03-4 |
| Molecular Weight (g/mol) | 338.374 |
| MDL Number | MFCD00130282 |
| SMILES | C1=CC(=CC=C1OCCO)S(=O)(=O)C2=CC=C(C=C2)OCCO |
| Synonym | 4-(2-Hydroxyethoxy)phenyl Sulfone |
| IUPAC Name | 2-[4-[4-(2-hydroxyethoxy)phenyl]sulfonylphenoxy]ethanol |
| InChI Key | UTNSTOOXQPHXJQ-UHFFFAOYSA-N |
| Molecular Formula | C16H18O6S |
4-(3-Butenyloxy)benzoic Acid 98.0+%, TCI America™
CAS: 115595-27-2 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.21 MDL Number: MFCD00191325 InChI Key: QXZIOUAINSTHGI-UHFFFAOYSA-N PubChem CID: 544452 IUPAC Name: 4-(but-3-en-1-yloxy)benzoic acid SMILES: OC(=O)C1=CC=C(OCCC=C)C=C1
| PubChem CID | 544452 |
|---|---|
| CAS | 115595-27-2 |
| Molecular Weight (g/mol) | 192.21 |
| MDL Number | MFCD00191325 |
| SMILES | OC(=O)C1=CC=C(OCCC=C)C=C1 |
| IUPAC Name | 4-(but-3-en-1-yloxy)benzoic acid |
| InChI Key | QXZIOUAINSTHGI-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
2-Bromo-5-nitrotoluene 98.0+%, TCI America™
CAS: 7149-70-4 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD00007281 InChI Key: HIMGPQVBNICCGL-UHFFFAOYSA-N Synonym: 2-bromo-5-nitrotoluene,4-bromo-3-methylnitrobenzene,benzene, 1-bromo-2-methyl-4-nitro,bromo 5--2-nitrotoluene,2bromo-5-nitrotoluene,pubchem12553,acmc-209oiv,toluene, 2-bromo-5-nitro,ksc498a8d,methyl 2-bromo-5-nitrobenzene PubChem CID: 251672 IUPAC Name: 1-bromo-2-methyl-4-nitrobenzene SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])Br
| PubChem CID | 251672 |
|---|---|
| CAS | 7149-70-4 |
| Molecular Weight (g/mol) | 216.034 |
| MDL Number | MFCD00007281 |
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])Br |
| Synonym | 2-bromo-5-nitrotoluene,4-bromo-3-methylnitrobenzene,benzene, 1-bromo-2-methyl-4-nitro,bromo 5--2-nitrotoluene,2bromo-5-nitrotoluene,pubchem12553,acmc-209oiv,toluene, 2-bromo-5-nitro,ksc498a8d,methyl 2-bromo-5-nitrobenzene |
| IUPAC Name | 1-bromo-2-methyl-4-nitrobenzene |
| InChI Key | HIMGPQVBNICCGL-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO2 |