Benzene and substituted derivatives
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(1S,2R)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenyl-1-propanol 98.0+%, TCI America™
CAS: 187324-64-7 Molecular Formula: C25H29NO3S Molecular Weight (g/mol): 423.571 MDL Number: MFCD02093447 InChI Key: ZPERKXJNXPLVAC-ZJSXRUAMSA-N Synonym: (1S,2R)-N-Benzyl-N-(mesitylenesulfonyl)norephedrine, (1S,2R)-2-[N-Benzyl-N-(2,4,6-trimethylbenzenesulfonyl)amino]-1-phenyl-1-propanol PubChem CID: 44630156 IUPAC Name: N-benzyl-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,4,6-trimethylbenzenesulfonamide SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=CC=CC=C2)C(C)C(C3=CC=CC=C3)O)C
| PubChem CID | 44630156 |
|---|---|
| CAS | 187324-64-7 |
| Molecular Weight (g/mol) | 423.571 |
| MDL Number | MFCD02093447 |
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=CC=CC=C2)C(C)C(C3=CC=CC=C3)O)C |
| Synonym | (1S,2R)-N-Benzyl-N-(mesitylenesulfonyl)norephedrine, (1S,2R)-2-[N-Benzyl-N-(2,4,6-trimethylbenzenesulfonyl)amino]-1-phenyl-1-propanol |
| IUPAC Name | N-benzyl-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,4,6-trimethylbenzenesulfonamide |
| InChI Key | ZPERKXJNXPLVAC-ZJSXRUAMSA-N |
| Molecular Formula | C25H29NO3S |
1,3-Bis(benzyloxy)-2-propanol 96.0+%, TCI America™
CAS: 6972-79-8 Molecular Formula: C17H20O3 Molecular Weight (g/mol): 272.34 MDL Number: MFCD00010616 InChI Key: ARLSYSVVBAMYKA-UHFFFAOYSA-N Synonym: 1,3-Di-O-benzylglycerol, 1,3-Dibenzyloxy-2-propanol PubChem CID: 247614 IUPAC Name: 1,3-bis(benzyloxy)propan-2-ol SMILES: OC(COCC1=CC=CC=C1)COCC1=CC=CC=C1
| PubChem CID | 247614 |
|---|---|
| CAS | 6972-79-8 |
| Molecular Weight (g/mol) | 272.34 |
| MDL Number | MFCD00010616 |
| SMILES | OC(COCC1=CC=CC=C1)COCC1=CC=CC=C1 |
| Synonym | 1,3-Di-O-benzylglycerol, 1,3-Dibenzyloxy-2-propanol |
| IUPAC Name | 1,3-bis(benzyloxy)propan-2-ol |
| InChI Key | ARLSYSVVBAMYKA-UHFFFAOYSA-N |
| Molecular Formula | C17H20O3 |
(R)-(+)-3-Benzyloxy-1,2-propanediol 98.0+%, TCI America™
CAS: 56552-80-8 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.219 MDL Number: MFCD00067260 InChI Key: LWCIBYRXSHRIAP-SNVBAGLBSA-N Synonym: (R)-(+)-Glycerol alpha-Benzyl Ether PubChem CID: 2724795 IUPAC Name: (2R)-3-phenylmethoxypropane-1,2-diol SMILES: C1=CC=C(C=C1)COCC(CO)O
| PubChem CID | 2724795 |
|---|---|
| CAS | 56552-80-8 |
| Molecular Weight (g/mol) | 182.219 |
| MDL Number | MFCD00067260 |
| SMILES | C1=CC=C(C=C1)COCC(CO)O |
| Synonym | (R)-(+)-Glycerol alpha-Benzyl Ether |
| IUPAC Name | (2R)-3-phenylmethoxypropane-1,2-diol |
| InChI Key | LWCIBYRXSHRIAP-SNVBAGLBSA-N |
| Molecular Formula | C10H14O3 |
(S)-(-)-3-Benzyloxy-1,2-propanediol 98.0+%, TCI America™
CAS: 17325-85-8 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.219 MDL Number: MFCD00077914 InChI Key: LWCIBYRXSHRIAP-JTQLQIEISA-N Synonym: (S)-(-)-Glycerol alpha-Benzyl Ether PubChem CID: 6950841 IUPAC Name: (2S)-3-phenylmethoxypropane-1,2-diol SMILES: C1=CC=C(C=C1)COCC(CO)O
| PubChem CID | 6950841 |
|---|---|
| CAS | 17325-85-8 |
| Molecular Weight (g/mol) | 182.219 |
| MDL Number | MFCD00077914 |
| SMILES | C1=CC=C(C=C1)COCC(CO)O |
| Synonym | (S)-(-)-Glycerol alpha-Benzyl Ether |
| IUPAC Name | (2S)-3-phenylmethoxypropane-1,2-diol |
| InChI Key | LWCIBYRXSHRIAP-JTQLQIEISA-N |
| Molecular Formula | C10H14O3 |
4-Fluorobenzylamine 98.0+%, TCI America™
CAS: 140-75-0 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.146 MDL Number: MFCD00008120 InChI Key: IIFVWLUQBAIPMJ-UHFFFAOYSA-N Synonym: 4-fluorobenzylamine,4-fluorophenyl methanamine,benzenemethanamine, 4-fluoro,p-fluorobenzylamine,benzylamine, p-fluoro,p-fluorobenzyl amine,4-fluoro-benzylamine,1-4-fluorophenyl methanamine,4-fluorobenzyl amine,chembl12392 PubChem CID: 67326 IUPAC Name: (4-fluorophenyl)methanamine SMILES: C1=CC(=CC=C1CN)F
| PubChem CID | 67326 |
|---|---|
| CAS | 140-75-0 |
| Molecular Weight (g/mol) | 125.146 |
| MDL Number | MFCD00008120 |
| SMILES | C1=CC(=CC=C1CN)F |
| Synonym | 4-fluorobenzylamine,4-fluorophenyl methanamine,benzenemethanamine, 4-fluoro,p-fluorobenzylamine,benzylamine, p-fluoro,p-fluorobenzyl amine,4-fluoro-benzylamine,1-4-fluorophenyl methanamine,4-fluorobenzyl amine,chembl12392 |
| IUPAC Name | (4-fluorophenyl)methanamine |
| InChI Key | IIFVWLUQBAIPMJ-UHFFFAOYSA-N |
| Molecular Formula | C7H8FN |
2-Bromo-4-chloro-1-iodobenzene 96.0+%, TCI America™
CAS: 31928-44-6 Molecular Formula: C6H3BrClI Molecular Weight (g/mol): 317.348 MDL Number: MFCD00672944 InChI Key: CXHXFDQEFKFYQJ-UHFFFAOYSA-N Synonym: 2-bromo-4-chloroiodobenzene,benzene, 2-bromo-4-chloro-1-iodo,acmc-209hpo,ksc494q6f,1-iodo-2-bromo-4-chlorobenzene,2-bromo-1-iodo-4-chlorobenzene PubChem CID: 13741326 IUPAC Name: 2-bromo-4-chloro-1-iodobenzene SMILES: C1=CC(=C(C=C1Cl)Br)I
| PubChem CID | 13741326 |
|---|---|
| CAS | 31928-44-6 |
| Molecular Weight (g/mol) | 317.348 |
| MDL Number | MFCD00672944 |
| SMILES | C1=CC(=C(C=C1Cl)Br)I |
| Synonym | 2-bromo-4-chloroiodobenzene,benzene, 2-bromo-4-chloro-1-iodo,acmc-209hpo,ksc494q6f,1-iodo-2-bromo-4-chlorobenzene,2-bromo-1-iodo-4-chlorobenzene |
| IUPAC Name | 2-bromo-4-chloro-1-iodobenzene |
| InChI Key | CXHXFDQEFKFYQJ-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrClI |
N-(tert-Butoxycarbonyl)-1,2-phenylenediamine 98.0+%, TCI America™
CAS: 146651-75-4 Molecular Formula: C11H16N2O2 Molecular Weight (g/mol): 208.261 MDL Number: MFCD02169707 InChI Key: KCZFBLNQOSFGSH-UHFFFAOYSA-N Synonym: N-Boc-1,2-phenylenediamine, tert-Butyl (2-Aminophenyl)carbamate, (2-Aminophenyl)carbamic Acid tert-Butyl Ester, 2-(tert-Butoxycarbonylamino)aniline, 2-(Boc-amino)aniline PubChem CID: 676311 IUPAC Name: tert-butyl N-(2-aminophenyl)carbamate SMILES: CC(C)(C)OC(=O)NC1=CC=CC=C1N
| PubChem CID | 676311 |
|---|---|
| CAS | 146651-75-4 |
| Molecular Weight (g/mol) | 208.261 |
| MDL Number | MFCD02169707 |
| SMILES | CC(C)(C)OC(=O)NC1=CC=CC=C1N |
| Synonym | N-Boc-1,2-phenylenediamine, tert-Butyl (2-Aminophenyl)carbamate, (2-Aminophenyl)carbamic Acid tert-Butyl Ester, 2-(tert-Butoxycarbonylamino)aniline, 2-(Boc-amino)aniline |
| IUPAC Name | tert-butyl N-(2-aminophenyl)carbamate |
| InChI Key | KCZFBLNQOSFGSH-UHFFFAOYSA-N |
| Molecular Formula | C11H16N2O2 |
Ethyl 4-Hydroxybenzoate 99.0+%, TCI America™
CAS: 120-47-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002353 InChI Key: NUVBSKCKDOMJSU-UHFFFAOYSA-N Synonym: ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e PubChem CID: 8434 ChEBI: CHEBI:86616 IUPAC Name: ethyl 4-hydroxybenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)O
| PubChem CID | 8434 |
|---|---|
| CAS | 120-47-8 |
| Molecular Weight (g/mol) | 166.176 |
| ChEBI | CHEBI:86616 |
| MDL Number | MFCD00002353 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)O |
| Synonym | ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e |
| IUPAC Name | ethyl 4-hydroxybenzoate |
| InChI Key | NUVBSKCKDOMJSU-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
2-Bromo-5-methoxybenzoic Acid 98.0+%, TCI America™
CAS: 22921-68-2 Molecular Formula: C8H7BrO3 Molecular Weight (g/mol): 231.045 MDL Number: MFCD00020214 InChI Key: ODHJOROUCITYNF-UHFFFAOYSA-N Synonym: 6-bromo-m-anisic acid,2-bromo-5-methoxybenzoicacid,benzoic acid, 2-bromo-5-methoxy,5-methoxy-2-bromobenzoic acid,2-bromo-5-methoxy-benzoic acid,pubchem2674,acmc-1clk6,ksc205k0l,rarechem al be 1111,2-bromo-5-methoxy benzoic acid PubChem CID: 89906 IUPAC Name: 2-bromo-5-methoxybenzoic acid SMILES: COC1=CC(=C(C=C1)Br)C(=O)O
| PubChem CID | 89906 |
|---|---|
| CAS | 22921-68-2 |
| Molecular Weight (g/mol) | 231.045 |
| MDL Number | MFCD00020214 |
| SMILES | COC1=CC(=C(C=C1)Br)C(=O)O |
| Synonym | 6-bromo-m-anisic acid,2-bromo-5-methoxybenzoicacid,benzoic acid, 2-bromo-5-methoxy,5-methoxy-2-bromobenzoic acid,2-bromo-5-methoxy-benzoic acid,pubchem2674,acmc-1clk6,ksc205k0l,rarechem al be 1111,2-bromo-5-methoxy benzoic acid |
| IUPAC Name | 2-bromo-5-methoxybenzoic acid |
| InChI Key | ODHJOROUCITYNF-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO3 |
5-Bromo-2-chlorobenzyl Alcohol 98.0+%, TCI America™
CAS: 149965-40-2 Molecular Formula: C7H6BrClO Molecular Weight (g/mol): 221.48 MDL Number: MFCD02683548 InChI Key: SCHBQPIVMBDOQF-UHFFFAOYSA-N PubChem CID: 5074766 IUPAC Name: (5-bromo-2-chlorophenyl)methanol SMILES: OCC1=C(Cl)C=CC(Br)=C1
| PubChem CID | 5074766 |
|---|---|
| CAS | 149965-40-2 |
| Molecular Weight (g/mol) | 221.48 |
| MDL Number | MFCD02683548 |
| SMILES | OCC1=C(Cl)C=CC(Br)=C1 |
| IUPAC Name | (5-bromo-2-chlorophenyl)methanol |
| InChI Key | SCHBQPIVMBDOQF-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrClO |
2-Bromo-4-fluorobenzyl Alcohol 98.0+%, TCI America™
CAS: 229027-89-8 Molecular Formula: C7H6BrFO Molecular Weight (g/mol): 205.03 MDL Number: MFCD00672925 InChI Key: XGAMLBPEVCLQEJ-UHFFFAOYSA-N Synonym: 2-bromo-4-fluorophenyl methanol,2-bromo-4-fluorobenzyl alcohol,benzenemethanol, 2-bromo-4-fluoro,2-bromo-4-fluorophenyl methan-1-ol,2-bromo-4-fluorobenzenemethanol,benzenemethanol,2-bromo-4-fluoro,pubchem3222,acmc-1cqar,ksc550i1h,rarechem al bd 1088 PubChem CID: 2773347 IUPAC Name: (2-bromo-4-fluorophenyl)methanol SMILES: OCC1=C(Br)C=C(F)C=C1
| PubChem CID | 2773347 |
|---|---|
| CAS | 229027-89-8 |
| Molecular Weight (g/mol) | 205.03 |
| MDL Number | MFCD00672925 |
| SMILES | OCC1=C(Br)C=C(F)C=C1 |
| Synonym | 2-bromo-4-fluorophenyl methanol,2-bromo-4-fluorobenzyl alcohol,benzenemethanol, 2-bromo-4-fluoro,2-bromo-4-fluorophenyl methan-1-ol,2-bromo-4-fluorobenzenemethanol,benzenemethanol,2-bromo-4-fluoro,pubchem3222,acmc-1cqar,ksc550i1h,rarechem al bd 1088 |
| IUPAC Name | (2-bromo-4-fluorophenyl)methanol |
| InChI Key | XGAMLBPEVCLQEJ-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrFO |
4-Bromo-3,5-difluoroaniline 98.0+%, TCI America™
CAS: 203302-95-8 Molecular Formula: C6H4BrF2N Molecular Weight (g/mol): 208.01 MDL Number: MFCD00236593 InChI Key: DKKUSFDAHRASGO-UHFFFAOYSA-N Synonym: benzenamine, 4-bromo-3,5-difluoro,3,5-difluoro-4-bromoaniline,4-bromo-3,5-difluoro-phenylamine,4-bromo-3,5-difluorobenzenamine,buttpark 35\03-50,4-bromo-3,5-difluorophenylamine,4-bromo-3,5-difluoro-benzenamine,pubchem2219,acmc-1chyw,ksc494o8p PubChem CID: 2736260 IUPAC Name: 4-bromo-3,5-difluoroaniline SMILES: NC1=CC(F)=C(Br)C(F)=C1
| PubChem CID | 2736260 |
|---|---|
| CAS | 203302-95-8 |
| Molecular Weight (g/mol) | 208.01 |
| MDL Number | MFCD00236593 |
| SMILES | NC1=CC(F)=C(Br)C(F)=C1 |
| Synonym | benzenamine, 4-bromo-3,5-difluoro,3,5-difluoro-4-bromoaniline,4-bromo-3,5-difluoro-phenylamine,4-bromo-3,5-difluorobenzenamine,buttpark 35\03-50,4-bromo-3,5-difluorophenylamine,4-bromo-3,5-difluoro-benzenamine,pubchem2219,acmc-1chyw,ksc494o8p |
| IUPAC Name | 4-bromo-3,5-difluoroaniline |
| InChI Key | DKKUSFDAHRASGO-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrF2N |
Bis(2-hydroxyethyl) Terephthalate 85.0+%, TCI America™
CAS: 959-26-2 Molecular Formula: C12H14O6 Molecular Weight (g/mol): 254.238 MDL Number: MFCD00081066 InChI Key: QPKOBORKPHRBPS-UHFFFAOYSA-N Synonym: Terephthalic Acid Bis(2-hydroxyethyl) Ester, BHET PubChem CID: 13739 IUPAC Name: bis(2-hydroxyethyl) benzene-1,4-dicarboxylate SMILES: C1=CC(=CC=C1C(=O)OCCO)C(=O)OCCO
| PubChem CID | 13739 |
|---|---|
| CAS | 959-26-2 |
| Molecular Weight (g/mol) | 254.238 |
| MDL Number | MFCD00081066 |
| SMILES | C1=CC(=CC=C1C(=O)OCCO)C(=O)OCCO |
| Synonym | Terephthalic Acid Bis(2-hydroxyethyl) Ester, BHET |
| IUPAC Name | bis(2-hydroxyethyl) benzene-1,4-dicarboxylate |
| InChI Key | QPKOBORKPHRBPS-UHFFFAOYSA-N |
| Molecular Formula | C12H14O6 |
4-Bromo-3-nitroanisole 96.0+%, TCI America™
CAS: 5344-78-5 Molecular Formula: C7H6BrNO3 Molecular Weight (g/mol): 232.03 MDL Number: MFCD00051511 InChI Key: KCOBIBRGPCFIGF-UHFFFAOYSA-N Synonym: 4-bromo-3-nitroanisole,4-bromo-3-nitroanisol,benzene, 1-bromo-4-methoxy-2-nitro,3-nitro-4-bromoanisole,4-methoxy-2-nitrobromobenzene,4-bromo-3-nitrothioanisole,4-bromo-3-nitrophenyl methyl ether,1-bromo-4-methoxy-2-nitro-benzene,timtec-bb sbb009974,pubchem2655 PubChem CID: 79288 IUPAC Name: 1-bromo-4-methoxy-2-nitrobenzene SMILES: COC1=CC=C(Br)C(=C1)[N+]([O-])=O
| PubChem CID | 79288 |
|---|---|
| CAS | 5344-78-5 |
| Molecular Weight (g/mol) | 232.03 |
| MDL Number | MFCD00051511 |
| SMILES | COC1=CC=C(Br)C(=C1)[N+]([O-])=O |
| Synonym | 4-bromo-3-nitroanisole,4-bromo-3-nitroanisol,benzene, 1-bromo-4-methoxy-2-nitro,3-nitro-4-bromoanisole,4-methoxy-2-nitrobromobenzene,4-bromo-3-nitrothioanisole,4-bromo-3-nitrophenyl methyl ether,1-bromo-4-methoxy-2-nitro-benzene,timtec-bb sbb009974,pubchem2655 |
| IUPAC Name | 1-bromo-4-methoxy-2-nitrobenzene |
| InChI Key | KCOBIBRGPCFIGF-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO3 |
2-Bromo-5-nitroanisole 98.0+%, TCI America™
CAS: 77337-82-7 Molecular Formula: C7H6BrNO3 Molecular Weight (g/mol): 232.033 MDL Number: MFCD00041250 InChI Key: NTKADLOYTKVXQN-UHFFFAOYSA-N Synonym: 2-bromo-5-nitroanisole,4-bromo-3-methoxynitrobenzene,2-bromo-5-nitroanisol,benzene, 1-bromo-2-methoxy-4-nitro,1-bromo-2-methoxy-4-nitro-benzene,zlchem 673,pubchem2536,2-bromo 5-nitro anisole,2-bromo-5-nitro-anisole,2-bromo-5-nitro anisole PubChem CID: 101293 IUPAC Name: 1-bromo-2-methoxy-4-nitrobenzene SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])Br
| PubChem CID | 101293 |
|---|---|
| CAS | 77337-82-7 |
| Molecular Weight (g/mol) | 232.033 |
| MDL Number | MFCD00041250 |
| SMILES | COC1=C(C=CC(=C1)[N+](=O)[O-])Br |
| Synonym | 2-bromo-5-nitroanisole,4-bromo-3-methoxynitrobenzene,2-bromo-5-nitroanisol,benzene, 1-bromo-2-methoxy-4-nitro,1-bromo-2-methoxy-4-nitro-benzene,zlchem 673,pubchem2536,2-bromo 5-nitro anisole,2-bromo-5-nitro-anisole,2-bromo-5-nitro anisole |
| IUPAC Name | 1-bromo-2-methoxy-4-nitrobenzene |
| InChI Key | NTKADLOYTKVXQN-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO3 |