Benzenoids
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Methyl 2-Bromo-5-chlorobenzoate 98.0+%, TCI America™
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CAS: 27007-53-0 Molecular Formula: C8H6BrClO2 Molecular Weight (g/mol): 249.488 MDL Number: MFCD00144763 InChI Key: BIECSXCXIXHDBC-UHFFFAOYSA-N Synonym: 2-bromo-5-chlorobenzoic acid methyl ester,benzoic acid, 2-bromo-5-chloro-, methyl ester,pubchem11238,acmc-1cr8r,ksc494q3f,methyl-2-bromo-5-chlorobenzoate,methyl 2-bromo-5-chloro-benzoate,methyl 2-bromanyl-5-chloranyl-benzoate,2-bomo-5-chlorobenzoic acid methyl ester PubChem CID: 280500 IUPAC Name: methyl 2-bromo-5-chlorobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)Cl)Br
| PubChem CID | 280500 |
|---|---|
| CAS | 27007-53-0 |
| Molecular Weight (g/mol) | 249.488 |
| MDL Number | MFCD00144763 |
| SMILES | COC(=O)C1=C(C=CC(=C1)Cl)Br |
| Synonym | 2-bromo-5-chlorobenzoic acid methyl ester,benzoic acid, 2-bromo-5-chloro-, methyl ester,pubchem11238,acmc-1cr8r,ksc494q3f,methyl-2-bromo-5-chlorobenzoate,methyl 2-bromo-5-chloro-benzoate,methyl 2-bromanyl-5-chloranyl-benzoate,2-bomo-5-chlorobenzoic acid methyl ester |
| IUPAC Name | methyl 2-bromo-5-chlorobenzoate |
| InChI Key | BIECSXCXIXHDBC-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrClO2 |
3-Methoxybenzenethiol 98.0+%, TCI America™
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CAS: 15570-12-4 Molecular Formula: C7H8OS Molecular Weight (g/mol): 140.2 MDL Number: MFCD00004841 InChI Key: QMVAZEHZOPDGHA-UHFFFAOYSA-N Synonym: 3-methoxythiophenol,3-methoxybenzenthiol,3-methoxy thiophenol,m-methoxythiophenol,3-mercaptoanisole,benzenethiol, 3-methoxy,m-methoxybenzenethiol,3-methoxy-benzenethiol,3-methoxybenzene-1-thiol,meta-methoxybenzenethiol PubChem CID: 84989 IUPAC Name: 3-methoxybenzenethiol SMILES: COC1=CC(=CC=C1)S
| PubChem CID | 84989 |
|---|---|
| CAS | 15570-12-4 |
| Molecular Weight (g/mol) | 140.2 |
| MDL Number | MFCD00004841 |
| SMILES | COC1=CC(=CC=C1)S |
| Synonym | 3-methoxythiophenol,3-methoxybenzenthiol,3-methoxy thiophenol,m-methoxythiophenol,3-mercaptoanisole,benzenethiol, 3-methoxy,m-methoxybenzenethiol,3-methoxy-benzenethiol,3-methoxybenzene-1-thiol,meta-methoxybenzenethiol |
| IUPAC Name | 3-methoxybenzenethiol |
| InChI Key | QMVAZEHZOPDGHA-UHFFFAOYSA-N |
| Molecular Formula | C7H8OS |
2,4-Dihydroxybenzohydrazide 98.0+%, TCI America™
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CAS: 13221-86-8 Molecular Formula: C7H8N2O3 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00017053 InChI Key: GOPUHTXVZGIOHN-UHFFFAOYSA-N Synonym: 2,4-dihydroxybenzhydrazide,2,4-dihydroxybenzoic acid hydrazide,benzoic acid, 2,4-dihydroxy-, hydrazide,2,4-dihydroxybenzoic hydrazide,2,4-bis oxidanyl benzohydrazide,2,4-dihydroxybenzoic acid, hydrazide,acmc-1cf1y,4-???benzene-1,3-diol,2,4-dihydroxybenzoylhydrazine,2,4-dihydroxy benzoic acid hydrazide PubChem CID: 166785 IUPAC Name: 2,4-dihydroxybenzohydrazide SMILES: NNC(=O)C1=CC=C(O)C=C1O
| PubChem CID | 166785 |
|---|---|
| CAS | 13221-86-8 |
| Molecular Weight (g/mol) | 168.15 |
| MDL Number | MFCD00017053 |
| SMILES | NNC(=O)C1=CC=C(O)C=C1O |
| Synonym | 2,4-dihydroxybenzhydrazide,2,4-dihydroxybenzoic acid hydrazide,benzoic acid, 2,4-dihydroxy-, hydrazide,2,4-dihydroxybenzoic hydrazide,2,4-bis oxidanyl benzohydrazide,2,4-dihydroxybenzoic acid, hydrazide,acmc-1cf1y,4-???benzene-1,3-diol,2,4-dihydroxybenzoylhydrazine,2,4-dihydroxy benzoic acid hydrazide |
| IUPAC Name | 2,4-dihydroxybenzohydrazide |
| InChI Key | GOPUHTXVZGIOHN-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O3 |
2-Bromobenzaldoxime 98.0+%, TCI America™
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CAS: 34158-72-0 Molecular Formula: C7H6BrNO Molecular Weight (g/mol): 200.04 MDL Number: MFCD00082734 InChI Key: PSIRFUPZHPEKAE-UHFFFAOYSA-N Synonym: 2-bromobenzaldoxime,e-2-bromobenzaldehyde oxime,2-bromobenzaldehyde oxime,e-n-2-bromophenyl methylidene hydroxylamine,e-1-2-bromophenyl-n-hydroxymethanimine,z-n-2-bromophenyl methylidene hydroxylamine,2-bromobenzal-doxime,pubchem3731,2-bromophenyl hydroxyimino methane,ne-n-2-bromophenyl methylidene hydroxylamine PubChem CID: 6876022 IUPAC Name: N-[(2-bromophenyl)methylidene]hydroxylamine SMILES: ON=CC1=CC=CC=C1Br
| PubChem CID | 6876022 |
|---|---|
| CAS | 34158-72-0 |
| Molecular Weight (g/mol) | 200.04 |
| MDL Number | MFCD00082734 |
| SMILES | ON=CC1=CC=CC=C1Br |
| Synonym | 2-bromobenzaldoxime,e-2-bromobenzaldehyde oxime,2-bromobenzaldehyde oxime,e-n-2-bromophenyl methylidene hydroxylamine,e-1-2-bromophenyl-n-hydroxymethanimine,z-n-2-bromophenyl methylidene hydroxylamine,2-bromobenzal-doxime,pubchem3731,2-bromophenyl hydroxyimino methane,ne-n-2-bromophenyl methylidene hydroxylamine |
| IUPAC Name | N-[(2-bromophenyl)methylidene]hydroxylamine |
| InChI Key | PSIRFUPZHPEKAE-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO |
4-Chlorobenzaldehyde 97.0+%, TCI America™
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CAS: 104-88-1 Molecular Formula: C7H5ClO Molecular Weight (g/mol): 140.566 MDL Number: MFCD00003379 InChI Key: AVPYQKSLYISFPO-UHFFFAOYSA-N Synonym: p-chlorobenzaldehyde,benzaldehyde, 4-chloro,benzaldehyde, p-chloro,p-chlorobenzenecarboxaldehyde,4-chloro-benzaldehyde,4-chlorobenzenaldehyde,4-chloro benzaldehyde,ccris 857,para-chlorobenzaldehyde,unii-e67727up9z PubChem CID: 7726 ChEBI: CHEBI:28105 IUPAC Name: 4-chlorobenzaldehyde SMILES: C1=CC(=CC=C1C=O)Cl
| PubChem CID | 7726 |
|---|---|
| CAS | 104-88-1 |
| Molecular Weight (g/mol) | 140.566 |
| ChEBI | CHEBI:28105 |
| MDL Number | MFCD00003379 |
| SMILES | C1=CC(=CC=C1C=O)Cl |
| Synonym | p-chlorobenzaldehyde,benzaldehyde, 4-chloro,benzaldehyde, p-chloro,p-chlorobenzenecarboxaldehyde,4-chloro-benzaldehyde,4-chlorobenzenaldehyde,4-chloro benzaldehyde,ccris 857,para-chlorobenzaldehyde,unii-e67727up9z |
| IUPAC Name | 4-chlorobenzaldehyde |
| InChI Key | AVPYQKSLYISFPO-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClO |
3,3'-Dihydroxybenzidine 99.0+%, TCI America™
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CAS: 2373-98-0 Molecular Formula: C12H12N2O2 Molecular Weight (g/mol): 216.24 MDL Number: MFCD00039149 InChI Key: ZGDMDBHLKNQPSD-UHFFFAOYSA-N Synonym: Benzidine-3,3′C-diol, 4,4′C-Diamino-3,3′C-dihydroxybiphenyl PubChem CID: 16918 IUPAC Name: 4,4'-diamino-[1,1'-biphenyl]-3,3'-diol SMILES: NC1=CC=C(C=C1O)C1=CC=C(N)C(O)=C1
| PubChem CID | 16918 |
|---|---|
| CAS | 2373-98-0 |
| Molecular Weight (g/mol) | 216.24 |
| MDL Number | MFCD00039149 |
| SMILES | NC1=CC=C(C=C1O)C1=CC=C(N)C(O)=C1 |
| Synonym | Benzidine-3,3′C-diol, 4,4′C-Diamino-3,3′C-dihydroxybiphenyl |
| IUPAC Name | 4,4'-diamino-[1,1'-biphenyl]-3,3'-diol |
| InChI Key | ZGDMDBHLKNQPSD-UHFFFAOYSA-N |
| Molecular Formula | C12H12N2O2 |
3,4-Difluorobenzaldehyde 97.0+%, TCI America™
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CAS: 34036-07-2 Molecular Formula: C7H4F2O Molecular Weight (g/mol): 142.105 MDL Number: MFCD00010328 InChI Key: JPHKMYXKNKLNDF-UHFFFAOYSA-N Synonym: benzaldehyde, 3,4-difluoro,pubchem1413,3,4 difluorobenzaldehyde,3,4-diflourobenzaldehyde,3.4-difluorobenzaldehyde,3,4-difluoro-benzaldehye,3,4-difluro-benzaldehyde,acmc-1ajc9,3, 4-difluorobenzaldehyde,3,4-difluoro benzaldehyde PubChem CID: 588088 IUPAC Name: 3,4-difluorobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)F)F
| PubChem CID | 588088 |
|---|---|
| CAS | 34036-07-2 |
| Molecular Weight (g/mol) | 142.105 |
| MDL Number | MFCD00010328 |
| SMILES | C1=CC(=C(C=C1C=O)F)F |
| Synonym | benzaldehyde, 3,4-difluoro,pubchem1413,3,4 difluorobenzaldehyde,3,4-diflourobenzaldehyde,3.4-difluorobenzaldehyde,3,4-difluoro-benzaldehye,3,4-difluro-benzaldehyde,acmc-1ajc9,3, 4-difluorobenzaldehyde,3,4-difluoro benzaldehyde |
| IUPAC Name | 3,4-difluorobenzaldehyde |
| InChI Key | JPHKMYXKNKLNDF-UHFFFAOYSA-N |
| Molecular Formula | C7H4F2O |
4-(Aminomethyl)benzoic Acid 97.0+%, TCI America™
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CAS: 56-91-7 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00010203 InChI Key: QCTBMLYLENLHLA-UHFFFAOYSA-N Synonym: 4-aminomethyl benzoic acid,4-carboxybenzylamine,pamba,styptopur,gumbix,p-aminomethylbenzoic acid,aminomethylbenzoic acid,benzoic acid, 4-aminomethyl,benzylamine-4-carboxylic acid,alpha-amino-p-toluic acid PubChem CID: 65526 IUPAC Name: 4-(aminomethyl)benzoic acid SMILES: C1=CC(=CC=C1CN)C(=O)O
| PubChem CID | 65526 |
|---|---|
| CAS | 56-91-7 |
| Molecular Weight (g/mol) | 151.165 |
| MDL Number | MFCD00010203 |
| SMILES | C1=CC(=CC=C1CN)C(=O)O |
| Synonym | 4-aminomethyl benzoic acid,4-carboxybenzylamine,pamba,styptopur,gumbix,p-aminomethylbenzoic acid,aminomethylbenzoic acid,benzoic acid, 4-aminomethyl,benzylamine-4-carboxylic acid,alpha-amino-p-toluic acid |
| IUPAC Name | 4-(aminomethyl)benzoic acid |
| InChI Key | QCTBMLYLENLHLA-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
2-Chloro-3-(trifluoromethyl)benzylamine 95.0+%, TCI America™
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Dimethyl 3-Nitrophthalate 99.0+%, TCI America™
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CAS: 13365-26-9 Molecular Formula: C10H9NO6 Molecular Weight (g/mol): 239.183 MDL Number: MFCD00017184 InChI Key: MLQMIKSBTAZNBK-UHFFFAOYSA-N PubChem CID: 249912 IUPAC Name: dimethyl 3-nitrobenzene-1,2-dicarboxylate SMILES: COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC
| PubChem CID | 249912 |
|---|---|
| CAS | 13365-26-9 |
| Molecular Weight (g/mol) | 239.183 |
| MDL Number | MFCD00017184 |
| SMILES | COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC |
| IUPAC Name | dimethyl 3-nitrobenzene-1,2-dicarboxylate |
| InChI Key | MLQMIKSBTAZNBK-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO6 |
1-Aminoindan 98.0+%, TCI America™
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CAS: 34698-41-4 Molecular Formula: C9H12N Molecular Weight (g/mol): 134.20 MDL Number: MFCD00003799 InChI Key: XJEVHMGJSYVQBQ-VIFPVBQESA-O Synonym: 1-aminoindan,1-aminoindane,1-indanamine,indan-1-ylamine,indanamin,aminoindan,indanylamine,indan-1-amine,1h-inden-1-amine, 2,3-dihydro,2,3-dihydro-1h-inden-1-ylamine PubChem CID: 123445 IUPAC Name: (1S)-2,3-dihydro-1H-inden-1-aminium SMILES: [NH3+][C@H]1CCC2=CC=CC=C12
| PubChem CID | 123445 |
|---|---|
| CAS | 34698-41-4 |
| Molecular Weight (g/mol) | 134.20 |
| MDL Number | MFCD00003799 |
| SMILES | [NH3+][C@H]1CCC2=CC=CC=C12 |
| Synonym | 1-aminoindan,1-aminoindane,1-indanamine,indan-1-ylamine,indanamin,aminoindan,indanylamine,indan-1-amine,1h-inden-1-amine, 2,3-dihydro,2,3-dihydro-1h-inden-1-ylamine |
| IUPAC Name | (1S)-2,3-dihydro-1H-inden-1-aminium |
| InChI Key | XJEVHMGJSYVQBQ-VIFPVBQESA-O |
| Molecular Formula | C9H12N |
2-Fluoro-5-(trifluoromethyl)benzonitrile 98.0+%, TCI America™
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CAS: 4088-84-0 Molecular Formula: C8H3F4N Molecular Weight (g/mol): 189.113 MDL Number: MFCD00061280 InChI Key: LCLVMSCLLULGRY-UHFFFAOYSA-N Synonym: 2-fluoro-5-trifluoromethyl benzonitrile,3-cyano-4-fluorobenzotrifluoride,alpha,alpha,alpha,6-tetrafluoro-m-tolunitrile,benzonitrile, 2-fluoro-5-trifluoromethyl,2-fluoro-5-trifluoromethyl benzenecarbonitrile,pubchem2739,ksc583s5h,3-cyano-4-fluorotrifluorotoluene,2-fluoro-5-trifluoromethyl-benzonitrile PubChem CID: 521016 IUPAC Name: 2-fluoro-5-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1C(F)(F)F)C#N)F
| PubChem CID | 521016 |
|---|---|
| CAS | 4088-84-0 |
| Molecular Weight (g/mol) | 189.113 |
| MDL Number | MFCD00061280 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)C#N)F |
| Synonym | 2-fluoro-5-trifluoromethyl benzonitrile,3-cyano-4-fluorobenzotrifluoride,alpha,alpha,alpha,6-tetrafluoro-m-tolunitrile,benzonitrile, 2-fluoro-5-trifluoromethyl,2-fluoro-5-trifluoromethyl benzenecarbonitrile,pubchem2739,ksc583s5h,3-cyano-4-fluorotrifluorotoluene,2-fluoro-5-trifluoromethyl-benzonitrile |
| IUPAC Name | 2-fluoro-5-(trifluoromethyl)benzonitrile |
| InChI Key | LCLVMSCLLULGRY-UHFFFAOYSA-N |
| Molecular Formula | C8H3F4N |
2-Bromo-3-nitrobenzoic Acid 98.0+%, TCI America™
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CAS: 573-54-6 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00074899 InChI Key: WTDJEGSXLFHZPY-UHFFFAOYSA-N Synonym: 2-bromo-3-nitrobenzoic acid,benzoic acid, 2-bromo-3-nitro,2-bromo-3-nitrobenzoicacid,2-bromo-3-nitro-benzoic acid,pubchem4714,acmc-1an8y,ksc273m5t,benzoicacid, 2-bromo-3-nitro,2-bromo-3-nitrobenzoic acid, technical grade PubChem CID: 68452 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Br)C(=O)O
| PubChem CID | 68452 |
|---|---|
| CAS | 573-54-6 |
| Molecular Weight (g/mol) | 246.016 |
| MDL Number | MFCD00074899 |
| SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])Br)C(=O)O |
| Synonym | 2-bromo-3-nitrobenzoic acid,benzoic acid, 2-bromo-3-nitro,2-bromo-3-nitrobenzoicacid,2-bromo-3-nitro-benzoic acid,pubchem4714,acmc-1an8y,ksc273m5t,benzoicacid, 2-bromo-3-nitro,2-bromo-3-nitrobenzoic acid, technical grade |
| InChI Key | WTDJEGSXLFHZPY-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrNO4 |
1-Bromo-4-decylbenzene 88.0+%, TCI America™
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CAS: 106418-67-1 Molecular Formula: C16H25Br Molecular Weight (g/mol): 297.28 MDL Number: MFCD00061112 InChI Key: SWTGVSCSSDYINB-UHFFFAOYSA-N Synonym: 1-bromo-4-n-decylbenzene,benzene, 1-bromo-4-decyl,4-decylbromobenzene,acmc-2098jm,ksc909c2n PubChem CID: 13757384 IUPAC Name: 1-bromo-4-decylbenzene SMILES: CCCCCCCCCCC1=CC=C(Br)C=C1
| PubChem CID | 13757384 |
|---|---|
| CAS | 106418-67-1 |
| Molecular Weight (g/mol) | 297.28 |
| MDL Number | MFCD00061112 |
| SMILES | CCCCCCCCCCC1=CC=C(Br)C=C1 |
| Synonym | 1-bromo-4-n-decylbenzene,benzene, 1-bromo-4-decyl,4-decylbromobenzene,acmc-2098jm,ksc909c2n |
| IUPAC Name | 1-bromo-4-decylbenzene |
| InChI Key | SWTGVSCSSDYINB-UHFFFAOYSA-N |
| Molecular Formula | C16H25Br |
4-Propoxybenzoic Acid 98.0+%, TCI America™
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CAS: 5438-19-7 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00013989 InChI Key: GDFUWFOCYZZGQU-UHFFFAOYSA-N Synonym: p-propoxybenzoic acid,4-n-propoxybenzoic acid,benzoic acid, 4-propoxy,4-n-propyloxybenzoic acid,4-propoxy-benzoic acid,benzoic acid, p-propoxy,p-propyloxybenzoic acid,pubchem2681,4-propoxy benzoic acid,p-carboxyphenoxy propane PubChem CID: 138500 IUPAC Name: 4-propoxybenzoic acid SMILES: CCCOC1=CC=C(C=C1)C(O)=O
| PubChem CID | 138500 |
|---|---|
| CAS | 5438-19-7 |
| Molecular Weight (g/mol) | 180.20 |
| MDL Number | MFCD00013989 |
| SMILES | CCCOC1=CC=C(C=C1)C(O)=O |
| Synonym | p-propoxybenzoic acid,4-n-propoxybenzoic acid,benzoic acid, 4-propoxy,4-n-propyloxybenzoic acid,4-propoxy-benzoic acid,benzoic acid, p-propoxy,p-propyloxybenzoic acid,pubchem2681,4-propoxy benzoic acid,p-carboxyphenoxy propane |
| IUPAC Name | 4-propoxybenzoic acid |
| InChI Key | GDFUWFOCYZZGQU-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |