Benzenoids
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3-Bromophenylsulfur Pentafluoride 95.0+%, TCI America™
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CAS: 672-30-0 Molecular Formula: C6H4BrF5S Molecular Weight (g/mol): 283.05 MDL Number: MFCD03425927 InChI Key: QRPMKEUTGAXKSD-UHFFFAOYSA-N PubChem CID: 2779192 IUPAC Name: 1-bromo-3-(pentafluoro-λ⁶-sulfanyl)benzene SMILES: FS(F)(F)(F)(F)C1=CC(Br)=CC=C1
| PubChem CID | 2779192 |
|---|---|
| CAS | 672-30-0 |
| Molecular Weight (g/mol) | 283.05 |
| MDL Number | MFCD03425927 |
| SMILES | FS(F)(F)(F)(F)C1=CC(Br)=CC=C1 |
| IUPAC Name | 1-bromo-3-(pentafluoro-λ⁶-sulfanyl)benzene |
| InChI Key | QRPMKEUTGAXKSD-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrF5S |
Benzhydrylamine 97.0+%, TCI America™
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CAS: 91-00-9 Molecular Formula: C13H13N Molecular Weight (g/mol): 183.254 MDL Number: MFCD00008059 InChI Key: MGHPNCMVUAKAIE-UHFFFAOYSA-N Synonym: aminodiphenylmethane,benzhydrylamine,1,1-diphenylmethylamine,diphenylmethyl amine,1,1-diphenylmethanamine,alpha-aminodiphenylmethane,methanamine, 1,1-diphenyl,alpha-phenylbenzylamine,benzhydrylamin,benzhydryl amine PubChem CID: 7036 IUPAC Name: diphenylmethanamine SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)N
| PubChem CID | 7036 |
|---|---|
| CAS | 91-00-9 |
| Molecular Weight (g/mol) | 183.254 |
| MDL Number | MFCD00008059 |
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)N |
| Synonym | aminodiphenylmethane,benzhydrylamine,1,1-diphenylmethylamine,diphenylmethyl amine,1,1-diphenylmethanamine,alpha-aminodiphenylmethane,methanamine, 1,1-diphenyl,alpha-phenylbenzylamine,benzhydrylamin,benzhydryl amine |
| IUPAC Name | diphenylmethanamine |
| InChI Key | MGHPNCMVUAKAIE-UHFFFAOYSA-N |
| Molecular Formula | C13H13N |
Moclobemide 98.0+%, TCI America™
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CAS: 71320-77-9 Molecular Formula: C13H17ClN2O2 Molecular Weight (g/mol): 268.741 MDL Number: MFCD00865388 InChI Key: YHXISWVBGDMDLQ-UHFFFAOYSA-N Synonym: moclobemide,aurorix,manerix,moclamine,moclobemid,moclobemida,moclobemidum,moclaime,moclamide,moclobamide PubChem CID: 4235 ChEBI: CHEBI:83531 IUPAC Name: 4-chloro-N-(2-morpholin-4-ylethyl)benzamide SMILES: C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl
| PubChem CID | 4235 |
|---|---|
| CAS | 71320-77-9 |
| Molecular Weight (g/mol) | 268.741 |
| ChEBI | CHEBI:83531 |
| MDL Number | MFCD00865388 |
| SMILES | C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl |
| Synonym | moclobemide,aurorix,manerix,moclamine,moclobemid,moclobemida,moclobemidum,moclaime,moclamide,moclobamide |
| IUPAC Name | 4-chloro-N-(2-morpholin-4-ylethyl)benzamide |
| InChI Key | YHXISWVBGDMDLQ-UHFFFAOYSA-N |
| Molecular Formula | C13H17ClN2O2 |
Methyl 5-Allyl-3-methoxysalicylate 98.0+%, TCI America™
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CAS: 85614-43-3 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD04038819 InChI Key: LYSUGZLJKRSLHM-UHFFFAOYSA-N Synonym: 5-Allyl-3-methoxysalicylic Acid Methyl Ester, Methyl 5-Allyl-2-hydroxy-3-methoxybenzoate, 5-Allyl-2-hydroxy-3-methoxybenzoic Acid Methyl Ester PubChem CID: 3020842 IUPAC Name: methyl 2-hydroxy-3-methoxy-5-(prop-2-en-1-yl)benzoate SMILES: COC(=O)C1=CC(CC=C)=CC(OC)=C1O
| PubChem CID | 3020842 |
|---|---|
| CAS | 85614-43-3 |
| Molecular Weight (g/mol) | 222.24 |
| MDL Number | MFCD04038819 |
| SMILES | COC(=O)C1=CC(CC=C)=CC(OC)=C1O |
| Synonym | 5-Allyl-3-methoxysalicylic Acid Methyl Ester, Methyl 5-Allyl-2-hydroxy-3-methoxybenzoate, 5-Allyl-2-hydroxy-3-methoxybenzoic Acid Methyl Ester |
| IUPAC Name | methyl 2-hydroxy-3-methoxy-5-(prop-2-en-1-yl)benzoate |
| InChI Key | LYSUGZLJKRSLHM-UHFFFAOYSA-N |
| Molecular Formula | C12H14O4 |
3-Fluoro-2-methylaniline 98.0+%, TCI America™
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CAS: 443-86-7 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.15 MDL Number: MFCD00007760 InChI Key: SLDLVGFPFFLYBM-UHFFFAOYSA-N Synonym: 3-fluoro-o-toluidine,2-fluoro-6-aminotoluene,2-amino-6-fluorotoluene,6-amino-2-fluorotoluene,3-fluoro-2-methyl-aniline,benzenamine, 3-fluoro-2-methyl,3-fluoro-2-methylphenylamine,2-methyl-3-fluoroaniline,hydrochloride,3-fluor-2-methylanilin PubChem CID: 285553 IUPAC Name: 3-fluoro-2-methylaniline SMILES: CC1=C(N)C=CC=C1F
| PubChem CID | 285553 |
|---|---|
| CAS | 443-86-7 |
| Molecular Weight (g/mol) | 125.15 |
| MDL Number | MFCD00007760 |
| SMILES | CC1=C(N)C=CC=C1F |
| Synonym | 3-fluoro-o-toluidine,2-fluoro-6-aminotoluene,2-amino-6-fluorotoluene,6-amino-2-fluorotoluene,3-fluoro-2-methyl-aniline,benzenamine, 3-fluoro-2-methyl,3-fluoro-2-methylphenylamine,2-methyl-3-fluoroaniline,hydrochloride,3-fluor-2-methylanilin |
| IUPAC Name | 3-fluoro-2-methylaniline |
| InChI Key | SLDLVGFPFFLYBM-UHFFFAOYSA-N |
| Molecular Formula | C7H8FN |
2,6-Difluorotoluene 99.0+%, TCI America™
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CAS: 443-84-5 Molecular Formula: C7H6F2 Molecular Weight (g/mol): 128.122 MDL Number: MFCD00043898 InChI Key: MZLSNIREOQCDED-UHFFFAOYSA-N Synonym: 2,6-difluorotoluene,benzene, 1,3-difluoro-2-methyl,2.6-difluoro methyl benzene,1,3-difluoro-2-methyl-benzene,1,3-difluor-2-methylbenzol,pubchem1614,2,6-difluoro toluene,acmc-209jxo,ksc493c9b PubChem CID: 581493 IUPAC Name: 1,3-difluoro-2-methylbenzene SMILES: CC1=C(C=CC=C1F)F
| PubChem CID | 581493 |
|---|---|
| CAS | 443-84-5 |
| Molecular Weight (g/mol) | 128.122 |
| MDL Number | MFCD00043898 |
| SMILES | CC1=C(C=CC=C1F)F |
| Synonym | 2,6-difluorotoluene,benzene, 1,3-difluoro-2-methyl,2.6-difluoro methyl benzene,1,3-difluoro-2-methyl-benzene,1,3-difluor-2-methylbenzol,pubchem1614,2,6-difluoro toluene,acmc-209jxo,ksc493c9b |
| IUPAC Name | 1,3-difluoro-2-methylbenzene |
| InChI Key | MZLSNIREOQCDED-UHFFFAOYSA-N |
| Molecular Formula | C7H6F2 |
4-Butoxyphthalonitrile 96.0+%, TCI America™
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N,N'-Dibenzylethylenediamine 98.0+%, TCI America™
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CAS: 140-28-3 Molecular Formula: C16H20N2 Molecular Weight (g/mol): 240.35 MDL Number: MFCD00004771 InChI Key: JUHORIMYRDESRB-UHFFFAOYSA-N Synonym: n,n'-dibenzylethylenediamine,benzathine,dbed,benzatin,n1,n2-dibenzylethane-1,2-diamine,1,2-bis benzylamino ethane,1,2-ethanediamine, n,n'-bis phenylmethyl,usaf do-53,unii-c659vz7p7t,ethylenediamine, n,n'-dibenzyl PubChem CID: 8793 ChEBI: CHEBI:51344 IUPAC Name: N,N'-dibenzylethane-1,2-diamine SMILES: C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
| PubChem CID | 8793 |
|---|---|
| CAS | 140-28-3 |
| Molecular Weight (g/mol) | 240.35 |
| ChEBI | CHEBI:51344 |
| MDL Number | MFCD00004771 |
| SMILES | C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2 |
| Synonym | n,n'-dibenzylethylenediamine,benzathine,dbed,benzatin,n1,n2-dibenzylethane-1,2-diamine,1,2-bis benzylamino ethane,1,2-ethanediamine, n,n'-bis phenylmethyl,usaf do-53,unii-c659vz7p7t,ethylenediamine, n,n'-dibenzyl |
| IUPAC Name | N,N'-dibenzylethane-1,2-diamine |
| InChI Key | JUHORIMYRDESRB-UHFFFAOYSA-N |
| Molecular Formula | C16H20N2 |
2-Fluoro-6-(trifluoromethyl)benzoic Acid 98.0+%, TCI America™
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CAS: 32890-94-1 Molecular Formula: C8H3F4O2 Molecular Weight (g/mol): 207.10 MDL Number: MFCD00040981 InChI Key: LNARMXLVVGHCRP-UHFFFAOYSA-M Synonym: 2-fluoro-6-trifluoromethyl benzoic acid,otf-boa-6f,alpha,alpha,alpha,6-tetrafluoro-o-toluic acid,benzoic acid, 2-fluoro-6-trifluoromethyl,6-fluoro-2-trifluoromethylbenzoic acid,2-fluoro-6-trifluoromethyl-benzoic acid,6-fluoro-2-trifluoromethyl benzoic acid,pubchem4759,acmc-20a40d,rarechem al bo 0626 PubChem CID: 688123 IUPAC Name: 2-fluoro-6-(trifluoromethyl)benzoate SMILES: [O-]C(=O)C1=C(F)C=CC=C1C(F)(F)F
| PubChem CID | 688123 |
|---|---|
| CAS | 32890-94-1 |
| Molecular Weight (g/mol) | 207.10 |
| MDL Number | MFCD00040981 |
| SMILES | [O-]C(=O)C1=C(F)C=CC=C1C(F)(F)F |
| Synonym | 2-fluoro-6-trifluoromethyl benzoic acid,otf-boa-6f,alpha,alpha,alpha,6-tetrafluoro-o-toluic acid,benzoic acid, 2-fluoro-6-trifluoromethyl,6-fluoro-2-trifluoromethylbenzoic acid,2-fluoro-6-trifluoromethyl-benzoic acid,6-fluoro-2-trifluoromethyl benzoic acid,pubchem4759,acmc-20a40d,rarechem al bo 0626 |
| IUPAC Name | 2-fluoro-6-(trifluoromethyl)benzoate |
| InChI Key | LNARMXLVVGHCRP-UHFFFAOYSA-M |
| Molecular Formula | C8H3F4O2 |
3,4,5-Trichlorobenzotrifluoride 98.0+%, TCI America™
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CAS: 50594-82-6 Molecular Formula: C7H2Cl3F3 Molecular Weight (g/mol): 249.438 InChI Key: FBKFIAIRSQOXJR-UHFFFAOYSA-N Synonym: 1,2,3-trichloro-5-trifluoromethyl benzene,3,4,5-trichlorobenzotrifluoride,3,4,5-trichlorotrifluoromethylbenzene,3,4,5-trichloro-alpha,alpha,alpha-trifluorotoluene,3,4,5-trichloro-a,a,a-trifluorotoluene,benzene, 1,2,3-trichloro-5-trifluoromethyl,pubchem19737,ksc914i9j,3,4,5-trichloro benzotrifluoride PubChem CID: 2733399 IUPAC Name: 1,2,3-trichloro-5-(trifluoromethyl)benzene SMILES: C1=C(C=C(C(=C1Cl)Cl)Cl)C(F)(F)F
| PubChem CID | 2733399 |
|---|---|
| CAS | 50594-82-6 |
| Molecular Weight (g/mol) | 249.438 |
| SMILES | C1=C(C=C(C(=C1Cl)Cl)Cl)C(F)(F)F |
| Synonym | 1,2,3-trichloro-5-trifluoromethyl benzene,3,4,5-trichlorobenzotrifluoride,3,4,5-trichlorotrifluoromethylbenzene,3,4,5-trichloro-alpha,alpha,alpha-trifluorotoluene,3,4,5-trichloro-a,a,a-trifluorotoluene,benzene, 1,2,3-trichloro-5-trifluoromethyl,pubchem19737,ksc914i9j,3,4,5-trichloro benzotrifluoride |
| IUPAC Name | 1,2,3-trichloro-5-(trifluoromethyl)benzene |
| InChI Key | FBKFIAIRSQOXJR-UHFFFAOYSA-N |
| Molecular Formula | C7H2Cl3F3 |
4-Bromo-3-fluorobenzotrifluoride 98.0+%, TCI America™
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CAS: 40161-54-4 Molecular Formula: C7H3BrF4 Molecular Weight (g/mol): 242.999 MDL Number: MFCD00042497 InChI Key: XCTQZIUCYJVRLJ-UHFFFAOYSA-N Synonym: 4-bromo-3-fluorobenzotrifluoride,1-bromo-2-fluoro-4-trifluoromethyl benzene,2-fluoro-4-trifluoromethyl bromobenzene,3-fluoro-4-bromobenzotrifluoride,benzene, 1-bromo-2-fluoro-4-trifluoromethyl,2-fluoro-4-trifluoromethylbromobenzne,pubchem1642,4-bromo-3-fluoro benzotrifluoride,2-fluoro-4-trifluoromethylbromobenzene,1-bromo-2-fluoro-4-trifluoromethyl-benzene PubChem CID: 142414 IUPAC Name: 1-bromo-2-fluoro-4-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1C(F)(F)F)F)Br
| PubChem CID | 142414 |
|---|---|
| CAS | 40161-54-4 |
| Molecular Weight (g/mol) | 242.999 |
| MDL Number | MFCD00042497 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)F)Br |
| Synonym | 4-bromo-3-fluorobenzotrifluoride,1-bromo-2-fluoro-4-trifluoromethyl benzene,2-fluoro-4-trifluoromethyl bromobenzene,3-fluoro-4-bromobenzotrifluoride,benzene, 1-bromo-2-fluoro-4-trifluoromethyl,2-fluoro-4-trifluoromethylbromobenzne,pubchem1642,4-bromo-3-fluoro benzotrifluoride,2-fluoro-4-trifluoromethylbromobenzene,1-bromo-2-fluoro-4-trifluoromethyl-benzene |
| IUPAC Name | 1-bromo-2-fluoro-4-(trifluoromethyl)benzene |
| InChI Key | XCTQZIUCYJVRLJ-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrF4 |
3,5-Dinitrobenzotrifluoride 98.0+%, TCI America™
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CAS: 401-99-0 Molecular Formula: C7H3F3N2O4 Molecular Weight (g/mol): 236.106 MDL Number: MFCD00007233 InChI Key: QZADIXWDDVQVKM-UHFFFAOYSA-N PubChem CID: 123060 IUPAC Name: 1,3-dinitro-5-(trifluoromethyl)benzene SMILES: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F
| PubChem CID | 123060 |
|---|---|
| CAS | 401-99-0 |
| Molecular Weight (g/mol) | 236.106 |
| MDL Number | MFCD00007233 |
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F |
| IUPAC Name | 1,3-dinitro-5-(trifluoromethyl)benzene |
| InChI Key | QZADIXWDDVQVKM-UHFFFAOYSA-N |
| Molecular Formula | C7H3F3N2O4 |
4-Bromo-2-(trifluoromethyl)benzoic Acid 98.0+%, TCI America™
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CAS: 320-31-0 Molecular Formula: C8H4BrF3O2 Molecular Weight (g/mol): 269.02 MDL Number: MFCD07787468 InChI Key: JXHWAPDBDXPBEQ-UHFFFAOYSA-N Synonym: 4-bromo-2-trifluoromethyl benzoic acid,benzoic acid, 4-bromo-2-trifluoromethyl,2-trifluoromethyl-4-bromobenzoic acid,pubchem4738,4-bromo-2-trifluoromethyl benzoicacid,acmc-209hq4,ksc495g7n,5-bromo-2-carboxybenzotrifluoride PubChem CID: 25067392 IUPAC Name: 4-bromo-2-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=C(C=C(Br)C=C1)C(F)(F)F
| PubChem CID | 25067392 |
|---|---|
| CAS | 320-31-0 |
| Molecular Weight (g/mol) | 269.02 |
| MDL Number | MFCD07787468 |
| SMILES | OC(=O)C1=C(C=C(Br)C=C1)C(F)(F)F |
| Synonym | 4-bromo-2-trifluoromethyl benzoic acid,benzoic acid, 4-bromo-2-trifluoromethyl,2-trifluoromethyl-4-bromobenzoic acid,pubchem4738,4-bromo-2-trifluoromethyl benzoicacid,acmc-209hq4,ksc495g7n,5-bromo-2-carboxybenzotrifluoride |
| IUPAC Name | 4-bromo-2-(trifluoromethyl)benzoic acid |
| InChI Key | JXHWAPDBDXPBEQ-UHFFFAOYSA-N |
| Molecular Formula | C8H4BrF3O2 |
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-proline 98.0+%, TCI America™
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CAS: 71989-31-6 Molecular Formula: C20H19NO4 Molecular Weight (g/mol): 337.38 MDL Number: MFCD00037122 InChI Key: ZPGDWQNBZYOZTI-UHFFFAOYNA-N Synonym: fmoc-pro-oh,fmoc-l-proline,fmoc-l-pro-oh,n-fmoc-l-proline,n-9-fluorenylmethoxycarbonyl-l-proline,s-1-9h-fluoren-9-yl methoxy carbonyl pyrrolidine-2-carboxylic acid,n-9h-fluoren-9-ylmethoxy carbonyl-l-proline,fmoc-pro,2s-1-9h-fluoren-9-ylmethoxy carbonyl pyrrolidine-2-carboxylic acid,9-fluorenylmethoxycarbonyl-l-proline PubChem CID: 688135 IUPAC Name: 1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidine-2-carboxylic acid SMILES: OC(=O)C1CCCN1C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12
| PubChem CID | 688135 |
|---|---|
| CAS | 71989-31-6 |
| Molecular Weight (g/mol) | 337.38 |
| MDL Number | MFCD00037122 |
| SMILES | OC(=O)C1CCCN1C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12 |
| Synonym | fmoc-pro-oh,fmoc-l-proline,fmoc-l-pro-oh,n-fmoc-l-proline,n-9-fluorenylmethoxycarbonyl-l-proline,s-1-9h-fluoren-9-yl methoxy carbonyl pyrrolidine-2-carboxylic acid,n-9h-fluoren-9-ylmethoxy carbonyl-l-proline,fmoc-pro,2s-1-9h-fluoren-9-ylmethoxy carbonyl pyrrolidine-2-carboxylic acid,9-fluorenylmethoxycarbonyl-l-proline |
| IUPAC Name | 1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidine-2-carboxylic acid |
| InChI Key | ZPGDWQNBZYOZTI-UHFFFAOYNA-N |
| Molecular Formula | C20H19NO4 |
Benzoyl Isothiocyanate 97.0+%, TCI America™
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CAS: 532-55-8 Molecular Formula: C8H5NOS Molecular Weight (g/mol): 163.194 MDL Number: MFCD00004815 InChI Key: CPEKAXYCDKETEN-UHFFFAOYSA-N Synonym: benzoylthiocarbimide,benzoylisothiocyanate,benzoylisothiocyante,isothiocyanic acid benzoyl ester,unii-u8j7q32b86,n-benzoyl isothiocyanate,benzoic acid, anhydride with hncs,benzoic acid, anhydride with isothiocyanic acid,oxophenylmethanisothiocyanate,1-benzoyl acetone PubChem CID: 68284 IUPAC Name: benzoyl isothiocyanate SMILES: C1=CC=C(C=C1)C(=O)N=C=S
| PubChem CID | 68284 |
|---|---|
| CAS | 532-55-8 |
| Molecular Weight (g/mol) | 163.194 |
| MDL Number | MFCD00004815 |
| SMILES | C1=CC=C(C=C1)C(=O)N=C=S |
| Synonym | benzoylthiocarbimide,benzoylisothiocyanate,benzoylisothiocyante,isothiocyanic acid benzoyl ester,unii-u8j7q32b86,n-benzoyl isothiocyanate,benzoic acid, anhydride with hncs,benzoic acid, anhydride with isothiocyanic acid,oxophenylmethanisothiocyanate,1-benzoyl acetone |
| IUPAC Name | benzoyl isothiocyanate |
| InChI Key | CPEKAXYCDKETEN-UHFFFAOYSA-N |
| Molecular Formula | C8H5NOS |