Benzenoids
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Ethyl 3,4-Diaminobenzoate 98.0+%, TCI America™
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CAS: 37466-90-3 Molecular Formula: C9H12N2O2 Molecular Weight (g/mol): 180.207 MDL Number: MFCD00179337 InChI Key: NUJBTXFFJUGENN-UHFFFAOYSA-N Synonym: 3,4-diaminobenzoic acid ethyl ester,3,4-diamino-benzoic acid ethyl ester,benzoic acid, 3,4-diamino-, ethyl ester,ethyl3,4-diaminobenzoate,acmc-1afrr,maybridge3_004764,3,4-diaminobenzoic acid, ethyl ester,4-ethoxycarbonyl benzene-1,2-diamine,4-ethoxycarbonyl phenylene-1,2-diamine PubChem CID: 458855 IUPAC Name: ethyl 3,4-diaminobenzoate SMILES: CCOC(=O)C1=CC(=C(C=C1)N)N
| PubChem CID | 458855 |
|---|---|
| CAS | 37466-90-3 |
| Molecular Weight (g/mol) | 180.207 |
| MDL Number | MFCD00179337 |
| SMILES | CCOC(=O)C1=CC(=C(C=C1)N)N |
| Synonym | 3,4-diaminobenzoic acid ethyl ester,3,4-diamino-benzoic acid ethyl ester,benzoic acid, 3,4-diamino-, ethyl ester,ethyl3,4-diaminobenzoate,acmc-1afrr,maybridge3_004764,3,4-diaminobenzoic acid, ethyl ester,4-ethoxycarbonyl benzene-1,2-diamine,4-ethoxycarbonyl phenylene-1,2-diamine |
| IUPAC Name | ethyl 3,4-diaminobenzoate |
| InChI Key | NUJBTXFFJUGENN-UHFFFAOYSA-N |
| Molecular Formula | C9H12N2O2 |
2-Chloro-6-fluorobenzyl Chloride 98.0+%, TCI America™
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CAS: 55117-15-2 Molecular Formula: C7H5Cl2F Molecular Weight (g/mol): 179.02 MDL Number: MFCD00000896 InChI Key: MJGOLNNLNQQIHR-UHFFFAOYSA-N Synonym: 2-chloro-6-fluorobenzyl chloride,1-chloro-2-chloromethyl-3-fluorobenzene,benzene, 1-chloro-2-chloromethyl-3-fluoro,2-chloro-6-fluorobenzylchloride,unii-a581kl6zpn,1-chloro-2-chloromethyl-3-fluoro-benzene,alpha,2-dichloro-6-fluorotoluene,a581kl6zpn,3-chloro-2-chloromethyl-1-fluorobenzene,pubchem7497 PubChem CID: 108675 IUPAC Name: 1-chloro-2-(chloromethyl)-3-fluorobenzene SMILES: FC1=CC=CC(Cl)=C1CCl
| PubChem CID | 108675 |
|---|---|
| CAS | 55117-15-2 |
| Molecular Weight (g/mol) | 179.02 |
| MDL Number | MFCD00000896 |
| SMILES | FC1=CC=CC(Cl)=C1CCl |
| Synonym | 2-chloro-6-fluorobenzyl chloride,1-chloro-2-chloromethyl-3-fluorobenzene,benzene, 1-chloro-2-chloromethyl-3-fluoro,2-chloro-6-fluorobenzylchloride,unii-a581kl6zpn,1-chloro-2-chloromethyl-3-fluoro-benzene,alpha,2-dichloro-6-fluorotoluene,a581kl6zpn,3-chloro-2-chloromethyl-1-fluorobenzene,pubchem7497 |
| IUPAC Name | 1-chloro-2-(chloromethyl)-3-fluorobenzene |
| InChI Key | MJGOLNNLNQQIHR-UHFFFAOYSA-N |
| Molecular Formula | C7H5Cl2F |
N'-Isopropylidene-2-nitrobenzenesulfonohydrazide 98.0+%, TCI America™
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CAS: 6655-27-2 Molecular Formula: C9H11N3O4S Molecular Weight (g/mol): 257.264 MDL Number: MFCD09800525 InChI Key: SBNYNTYNEJTMQO-UHFFFAOYSA-N Synonym: IPNBSH PubChem CID: 11974266 SMILES: CC(=NNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C
| PubChem CID | 11974266 |
|---|---|
| CAS | 6655-27-2 |
| Molecular Weight (g/mol) | 257.264 |
| MDL Number | MFCD09800525 |
| SMILES | CC(=NNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C |
| Synonym | IPNBSH |
| InChI Key | SBNYNTYNEJTMQO-UHFFFAOYSA-N |
| Molecular Formula | C9H11N3O4S |
3,4-Difluorobenzophenone 98.0+%, TCI America™
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CAS: 85118-07-6 Molecular Formula: C13H8F2O Molecular Weight (g/mol): 218.203 MDL Number: MFCD00009892 InChI Key: ZJTYHSBOZAQQGF-UHFFFAOYSA-N Synonym: 3,4-difluorobenzophenone,3,4-difluorophenyl phenyl methanone,methanone, 3,4-difluorophenyl phenyl,3,4-difluoro-phenyl-phenyl-methanone,3,4-difluorophenyl phenyl ketone,fr bf dvr,pubchem4220,acmc-209q4q,timtec-bb sbb016583 PubChem CID: 569908 IUPAC Name: (3,4-difluorophenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)F)F
| PubChem CID | 569908 |
|---|---|
| CAS | 85118-07-6 |
| Molecular Weight (g/mol) | 218.203 |
| MDL Number | MFCD00009892 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)F)F |
| Synonym | 3,4-difluorobenzophenone,3,4-difluorophenyl phenyl methanone,methanone, 3,4-difluorophenyl phenyl,3,4-difluoro-phenyl-phenyl-methanone,3,4-difluorophenyl phenyl ketone,fr bf dvr,pubchem4220,acmc-209q4q,timtec-bb sbb016583 |
| IUPAC Name | (3,4-difluorophenyl)-phenylmethanone |
| InChI Key | ZJTYHSBOZAQQGF-UHFFFAOYSA-N |
| Molecular Formula | C13H8F2O |
p-Tolyl Acetate 98.0+%, TCI America™
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CAS: 140-39-6 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00008703 InChI Key: CDJJKTLOZJAGIZ-UHFFFAOYSA-N Synonym: Acetic Acid p-Cresyl Ester, Acetic Acid p-Tolyl Ester, p-Cresyl Acetate PubChem CID: 8797 ChEBI: CHEBI:9627 IUPAC Name: 4-methylphenyl acetate SMILES: CC(=O)OC1=CC=C(C)C=C1
| PubChem CID | 8797 |
|---|---|
| CAS | 140-39-6 |
| Molecular Weight (g/mol) | 150.18 |
| ChEBI | CHEBI:9627 |
| MDL Number | MFCD00008703 |
| SMILES | CC(=O)OC1=CC=C(C)C=C1 |
| Synonym | Acetic Acid p-Cresyl Ester, Acetic Acid p-Tolyl Ester, p-Cresyl Acetate |
| IUPAC Name | 4-methylphenyl acetate |
| InChI Key | CDJJKTLOZJAGIZ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
2,3-Difluorophenetole 98.0+%, TCI America™
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CAS: 121219-07-6 Molecular Formula: C8H8F2O Molecular Weight (g/mol): 158.148 MDL Number: MFCD07368737 InChI Key: AVOGLGBKOFOSBN-UHFFFAOYSA-N Synonym: 1-Ethoxy-2,3-difluorobenzene PubChem CID: 2782928 IUPAC Name: 1-ethoxy-2,3-difluorobenzene SMILES: CCOC1=C(C(=CC=C1)F)F
| PubChem CID | 2782928 |
|---|---|
| CAS | 121219-07-6 |
| Molecular Weight (g/mol) | 158.148 |
| MDL Number | MFCD07368737 |
| SMILES | CCOC1=C(C(=CC=C1)F)F |
| Synonym | 1-Ethoxy-2,3-difluorobenzene |
| IUPAC Name | 1-ethoxy-2,3-difluorobenzene |
| InChI Key | AVOGLGBKOFOSBN-UHFFFAOYSA-N |
| Molecular Formula | C8H8F2O |
4-Chloroanisole 98.0+%, TCI America™
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CAS: 623-12-1 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.582 MDL Number: MFCD00000616 InChI Key: YRGAYAGBVIXNAQ-UHFFFAOYSA-N Synonym: 4-chloroanisole,benzene, 1-chloro-4-methoxy,p-chloroanisole,p-chlorophenyl methyl ether,anisyl chloride,anisole, p-chloro,p-chloromethoxybenzene,4-chlorophenol methyl ether,1-chloro-4-methoxy-benzene,unii-0f18bly08q PubChem CID: 12167 IUPAC Name: 1-chloro-4-methoxybenzene SMILES: COC1=CC=C(C=C1)Cl
| PubChem CID | 12167 |
|---|---|
| CAS | 623-12-1 |
| Molecular Weight (g/mol) | 142.582 |
| MDL Number | MFCD00000616 |
| SMILES | COC1=CC=C(C=C1)Cl |
| Synonym | 4-chloroanisole,benzene, 1-chloro-4-methoxy,p-chloroanisole,p-chlorophenyl methyl ether,anisyl chloride,anisole, p-chloro,p-chloromethoxybenzene,4-chlorophenol methyl ether,1-chloro-4-methoxy-benzene,unii-0f18bly08q |
| IUPAC Name | 1-chloro-4-methoxybenzene |
| InChI Key | YRGAYAGBVIXNAQ-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClO |
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-threonine Monohydrate 98.0+%, TCI America™
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CAS: 73731-37-0 Molecular Formula: C19H21NO6 Molecular Weight (g/mol): 359.38 MDL Number: MFCD00792901 InChI Key: CGNQPFAECJFQNV-NRNQBQMASA-N Synonym: fmoc-thr-oh,fmoc-l-threonine,fmoc-l-thr-oh,2-9h-fluoren-9-ylmethoxycarbonylamino-3-hydroxy-butanoic acid,n-9h-fluoren-9-ylmethoxy carbonyl-l-threonine,2s,3r-2-9h-fluoren-9-yl methoxy carbonyl amino-3-hydroxybutanoic acid,n-9-fluorenylmethoxycarbonyl-l-threonine,2s,3r-2-9h-fluoren-9-ylmethoxy carbonyl amino-3-hydroxybutanoic acid,fmoc-thr-oh monohydrate,n-9h-fluoren-9-ylmethoxy carbonyl-l-threonine monohydrate PubChem CID: 6992530 IUPAC Name: (2S,3R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-hydroxybutanoic acid hydrate SMILES: O.C[C@@H](O)[C@H](NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(O)=O
| PubChem CID | 6992530 |
|---|---|
| CAS | 73731-37-0 |
| Molecular Weight (g/mol) | 359.38 |
| MDL Number | MFCD00792901 |
| SMILES | O.C[C@@H](O)[C@H](NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(O)=O |
| Synonym | fmoc-thr-oh,fmoc-l-threonine,fmoc-l-thr-oh,2-9h-fluoren-9-ylmethoxycarbonylamino-3-hydroxy-butanoic acid,n-9h-fluoren-9-ylmethoxy carbonyl-l-threonine,2s,3r-2-9h-fluoren-9-yl methoxy carbonyl amino-3-hydroxybutanoic acid,n-9-fluorenylmethoxycarbonyl-l-threonine,2s,3r-2-9h-fluoren-9-ylmethoxy carbonyl amino-3-hydroxybutanoic acid,fmoc-thr-oh monohydrate,n-9h-fluoren-9-ylmethoxy carbonyl-l-threonine monohydrate |
| IUPAC Name | (2S,3R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-hydroxybutanoic acid hydrate |
| InChI Key | CGNQPFAECJFQNV-NRNQBQMASA-N |
| Molecular Formula | C19H21NO6 |
Benzoic Anhydride 97.0+%, TCI America™
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CAS: 93-97-0 Molecular Formula: C14H10O3 Molecular Weight (g/mol): 226.231 MDL Number: MFCD00003073 InChI Key: CHIHQLCVLOXUJW-UHFFFAOYSA-N Synonym: benzoic anhydride,benzoic acid, anhydride,benzoyl anhydride,benzoylbenzoate,benzoic acid anhydride,benzoic acid, 1,1'-anhydride,phenyl anhydride,benzoesaeureanhydrid,unii-9k7x34fov2,phenylcarbonyl benzoate PubChem CID: 7167 ChEBI: CHEBI:38815 IUPAC Name: benzoyl benzoate SMILES: C1=CC=C(C=C1)C(=O)OC(=O)C2=CC=CC=C2
| PubChem CID | 7167 |
|---|---|
| CAS | 93-97-0 |
| Molecular Weight (g/mol) | 226.231 |
| ChEBI | CHEBI:38815 |
| MDL Number | MFCD00003073 |
| SMILES | C1=CC=C(C=C1)C(=O)OC(=O)C2=CC=CC=C2 |
| Synonym | benzoic anhydride,benzoic acid, anhydride,benzoyl anhydride,benzoylbenzoate,benzoic acid anhydride,benzoic acid, 1,1'-anhydride,phenyl anhydride,benzoesaeureanhydrid,unii-9k7x34fov2,phenylcarbonyl benzoate |
| IUPAC Name | benzoyl benzoate |
| InChI Key | CHIHQLCVLOXUJW-UHFFFAOYSA-N |
| Molecular Formula | C14H10O3 |
3-Methoxy-2-nitrotoluene 98.0+%, TCI America™
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CAS: 5345-42-6 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.16 MDL Number: MFCD00007179 InChI Key: MGBRGNWARSQECY-UHFFFAOYSA-N Synonym: 3-methyl-2-nitroanisole,3-methoxy-2-nitrotoluene,2-nitro-3-methylanisole,benzene, 1-methoxy-3-methyl-2-nitro,pubchem12903,acmc-209l7h,anisole, 3-methyl-2-nitro,3-methoxy-1-methyl-2-nitrobenzene,# PubChem CID: 79291 IUPAC Name: 1-methoxy-3-methyl-2-nitrobenzene SMILES: COC1=CC=CC(C)=C1[N+]([O-])=O
| PubChem CID | 79291 |
|---|---|
| CAS | 5345-42-6 |
| Molecular Weight (g/mol) | 167.16 |
| MDL Number | MFCD00007179 |
| SMILES | COC1=CC=CC(C)=C1[N+]([O-])=O |
| Synonym | 3-methyl-2-nitroanisole,3-methoxy-2-nitrotoluene,2-nitro-3-methylanisole,benzene, 1-methoxy-3-methyl-2-nitro,pubchem12903,acmc-209l7h,anisole, 3-methyl-2-nitro,3-methoxy-1-methyl-2-nitrobenzene,# |
| IUPAC Name | 1-methoxy-3-methyl-2-nitrobenzene |
| InChI Key | MGBRGNWARSQECY-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
2-Formylphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 292189 |
|---|---|
| CAS | 40138-16-7 |
| Molecular Weight (g/mol) | 149.94 |
| MDL Number | MFCD00151822 |
| Physical Form | Crystalline Powder |
| TSCA | No |
| IUPAC Name | (2-formylphenyl)boronic acid |
| InChI Key | DGUWACLYDSWXRZ-UHFFFAOYSA-N |
| Molecular Formula | C7H7BO3 |
| Formula Weight | 149.94 |
| Melting Point | 125°C |
Resorcinol 99.0+%, TCI America™
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CAS: 108-46-3 Molecular Formula: C6H6O2 Molecular Weight (g/mol): 110.112 MDL Number: MFCD00002269 InChI Key: GHMLBKRAJCXXBS-UHFFFAOYSA-N Synonym: 1,3-Dihydroxybenzene PubChem CID: 5054 ChEBI: CHEBI:27810 IUPAC Name: benzene-1,3-diol SMILES: C1=CC(=CC(=C1)O)O
| PubChem CID | 5054 |
|---|---|
| CAS | 108-46-3 |
| Molecular Weight (g/mol) | 110.112 |
| ChEBI | CHEBI:27810 |
| MDL Number | MFCD00002269 |
| SMILES | C1=CC(=CC(=C1)O)O |
| Synonym | 1,3-Dihydroxybenzene |
| IUPAC Name | benzene-1,3-diol |
| InChI Key | GHMLBKRAJCXXBS-UHFFFAOYSA-N |
| Molecular Formula | C6H6O2 |
2'-Chloro-4'-(4-chlorophenoxy)acetophenone 98.0+%, TCI America™
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CAS: 119851-28-4 Molecular Formula: C14H10Cl2O2 Molecular Weight (g/mol): 281.13 MDL Number: MFCD00140226 InChI Key: BDTJIVUVQRVLLJ-UHFFFAOYSA-N Synonym: 1-2-chloro-4-4-chlorophenoxy phenyl ethan-1-one,1-2-chloro-4-4-chlorophenoxy phenyl ethanone,2-chloro-4-4-chlorophenoxy acetophenone,2'-chloro-4'-4-chlorophenoxy acetophenone,4-acetyl-3,4'-dichlorodiphenylether,1-acetyl-2-chloro-4-4-chlorophenoxy benzene,ethanone, 1-2-chloro-4-4-chlorophenoxy phenyl,pubchem3266 PubChem CID: 677479 IUPAC Name: 1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethan-1-one SMILES: CC(=O)C1=C(Cl)C=C(OC2=CC=C(Cl)C=C2)C=C1
| PubChem CID | 677479 |
|---|---|
| CAS | 119851-28-4 |
| Molecular Weight (g/mol) | 281.13 |
| MDL Number | MFCD00140226 |
| SMILES | CC(=O)C1=C(Cl)C=C(OC2=CC=C(Cl)C=C2)C=C1 |
| Synonym | 1-2-chloro-4-4-chlorophenoxy phenyl ethan-1-one,1-2-chloro-4-4-chlorophenoxy phenyl ethanone,2-chloro-4-4-chlorophenoxy acetophenone,2'-chloro-4'-4-chlorophenoxy acetophenone,4-acetyl-3,4'-dichlorodiphenylether,1-acetyl-2-chloro-4-4-chlorophenoxy benzene,ethanone, 1-2-chloro-4-4-chlorophenoxy phenyl,pubchem3266 |
| IUPAC Name | 1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethan-1-one |
| InChI Key | BDTJIVUVQRVLLJ-UHFFFAOYSA-N |
| Molecular Formula | C14H10Cl2O2 |
2-Chloro-5-fluorobenzoic Acid 98.0+%, TCI America™
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CAS: 2252-50-8 Molecular Formula: C7H4ClFO2 Molecular Weight (g/mol): 174.56 MDL Number: MFCD00156967 InChI Key: MIZKCMSSYVUZKD-UHFFFAOYSA-N Synonym: 5-fluoro-2-chlorobenzoic acid,2-chloro-5-fluorobenzoicacid,2-chloro-5-fluoro-benzoic acid,2-chloro5-fluorobenzoic acid,2-chloro-5-fluoro benzoic acid,pubchem1371,acmc-209fx4,ksc201s8l,rarechem al bo 2229 PubChem CID: 302888 IUPAC Name: 2-chloro-5-fluorobenzoic acid SMILES: OC(=O)C1=CC(F)=CC=C1Cl
| PubChem CID | 302888 |
|---|---|
| CAS | 2252-50-8 |
| Molecular Weight (g/mol) | 174.56 |
| MDL Number | MFCD00156967 |
| SMILES | OC(=O)C1=CC(F)=CC=C1Cl |
| Synonym | 5-fluoro-2-chlorobenzoic acid,2-chloro-5-fluorobenzoicacid,2-chloro-5-fluoro-benzoic acid,2-chloro5-fluorobenzoic acid,2-chloro-5-fluoro benzoic acid,pubchem1371,acmc-209fx4,ksc201s8l,rarechem al bo 2229 |
| IUPAC Name | 2-chloro-5-fluorobenzoic acid |
| InChI Key | MIZKCMSSYVUZKD-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO2 |
4-Chloro-2-methoxybenzoic Acid 98.0+%, TCI America™
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CAS: 57479-70-6 Molecular Formula: C8H6ClO3 Molecular Weight (g/mol): 185.58 MDL Number: MFCD00002532 InChI Key: UFEYMXHWIHFRBX-UHFFFAOYSA-M Synonym: 4-chloro-o-anisic acid,2-methoxy-4-chlorobenzoic acid,4-chloro-2-methoxy-benzoic acid,4-chloro-2-methoxybenzoicacid,benzoic acid, 4-chloro-2-methoxy,4-chloro-ortho-anisic acid,2-methoxy-4-chloro benzoic acid,acmc-1axaj,4-chloro-2-anisic acid,ksc494s8r PubChem CID: 93682 IUPAC Name: 4-chloro-2-methoxybenzoate SMILES: COC1=CC(Cl)=CC=C1C([O-])=O
| PubChem CID | 93682 |
|---|---|
| CAS | 57479-70-6 |
| Molecular Weight (g/mol) | 185.58 |
| MDL Number | MFCD00002532 |
| SMILES | COC1=CC(Cl)=CC=C1C([O-])=O |
| Synonym | 4-chloro-o-anisic acid,2-methoxy-4-chlorobenzoic acid,4-chloro-2-methoxy-benzoic acid,4-chloro-2-methoxybenzoicacid,benzoic acid, 4-chloro-2-methoxy,4-chloro-ortho-anisic acid,2-methoxy-4-chloro benzoic acid,acmc-1axaj,4-chloro-2-anisic acid,ksc494s8r |
| IUPAC Name | 4-chloro-2-methoxybenzoate |
| InChI Key | UFEYMXHWIHFRBX-UHFFFAOYSA-M |
| Molecular Formula | C8H6ClO3 |