Benzenoids
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4-Bromo-2,6-dimethylphenol 98.0+%, TCI America™
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CAS: 2374-05-2 Molecular Formula: C8H9BrO Molecular Weight (g/mol): 201.06 MDL Number: MFCD00002314 InChI Key: ZLVFYUORUHNMBO-UHFFFAOYSA-N Synonym: 4-bromo-2,6-xylenol,phenol, 4-bromo-2,6-dimethyl,2,6-dimethyl-4-bromophenol,2,6-xylenol, 4-bromo,pubchem9579,2, 4-bromo,acmc-2097aq,4-bromo-2,6 dimethylphenol,5-bromo-2-hydroxy-m-xylene,ksc495g0d PubChem CID: 16919 IUPAC Name: 4-bromo-2,6-dimethylphenol SMILES: CC1=CC(=CC(=C1O)C)Br
| PubChem CID | 16919 |
|---|---|
| CAS | 2374-05-2 |
| Molecular Weight (g/mol) | 201.06 |
| MDL Number | MFCD00002314 |
| SMILES | CC1=CC(=CC(=C1O)C)Br |
| Synonym | 4-bromo-2,6-xylenol,phenol, 4-bromo-2,6-dimethyl,2,6-dimethyl-4-bromophenol,2,6-xylenol, 4-bromo,pubchem9579,2, 4-bromo,acmc-2097aq,4-bromo-2,6 dimethylphenol,5-bromo-2-hydroxy-m-xylene,ksc495g0d |
| IUPAC Name | 4-bromo-2,6-dimethylphenol |
| InChI Key | ZLVFYUORUHNMBO-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrO |
2-Chloro-4-(methoxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 22171291 |
|---|---|
| CAS | 603122-80-1 |
| MDL Number | MFCD08689530 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| Synonym | 2-Chloro-4-(methoxycarbonyl)benzeneboronic Acid |
| TSCA | No |
| InChI Key | ITEQHBSWRMYSRP-UHFFFAOYSA-N |
| Molecular Formula | C8H8BClO4 |
| Formula Weight | 214.41 |
4-Bromocatechol 98.0+%, TCI America™
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CAS: 17345-77-6 Molecular Formula: C6H5BrO2 Molecular Weight (g/mol): 189.008 MDL Number: MFCD00869769 InChI Key: AQVKHRQMAUJBBP-UHFFFAOYSA-N Synonym: 4-Bromo-1,2-dihydroxybenzene PubChem CID: 28487 ChEBI: CHEBI:34388 IUPAC Name: 4-bromobenzene-1,2-diol SMILES: C1=CC(=C(C=C1Br)O)O
| PubChem CID | 28487 |
|---|---|
| CAS | 17345-77-6 |
| Molecular Weight (g/mol) | 189.008 |
| ChEBI | CHEBI:34388 |
| MDL Number | MFCD00869769 |
| SMILES | C1=CC(=C(C=C1Br)O)O |
| Synonym | 4-Bromo-1,2-dihydroxybenzene |
| IUPAC Name | 4-bromobenzene-1,2-diol |
| InChI Key | AQVKHRQMAUJBBP-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrO2 |
3-Bromopropyltriphenylphosphonium Bromide 98.0+%, TCI America™
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CAS: 3607-17-8 Molecular Formula: C21H21Br2P Molecular Weight (g/mol): 464.181 MDL Number: MFCD00011866 InChI Key: ZAHUZZUGJRPGKW-UHFFFAOYSA-M Synonym: 3-bromopropyl triphenylphosphonium bromide,3-bromopropyltriphenylphosphonium bromide,bromo 3-bromopropyl triphenylphosphorus,phosphonium, 3-bromopropyl triphenyl-, bromide,3-bromopropyl triphenylphosphanium bromide,3-bromopropyl triphenylphosphonium,acmc-209ikr,bromo 3-bromopropyl triphenylphosphorane,3-brompropyl triphenylphosphonium bromide PubChem CID: 2723862 IUPAC Name: 3-bromopropyl(triphenyl)phosphanium;bromide SMILES: C1=CC=C(C=C1)[P+](CCCBr)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
| PubChem CID | 2723862 |
|---|---|
| CAS | 3607-17-8 |
| Molecular Weight (g/mol) | 464.181 |
| MDL Number | MFCD00011866 |
| SMILES | C1=CC=C(C=C1)[P+](CCCBr)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-] |
| Synonym | 3-bromopropyl triphenylphosphonium bromide,3-bromopropyltriphenylphosphonium bromide,bromo 3-bromopropyl triphenylphosphorus,phosphonium, 3-bromopropyl triphenyl-, bromide,3-bromopropyl triphenylphosphanium bromide,3-bromopropyl triphenylphosphonium,acmc-209ikr,bromo 3-bromopropyl triphenylphosphorane,3-brompropyl triphenylphosphonium bromide |
| IUPAC Name | 3-bromopropyl(triphenyl)phosphanium;bromide |
| InChI Key | ZAHUZZUGJRPGKW-UHFFFAOYSA-M |
| Molecular Formula | C21H21Br2P |
3-Phenoxy-1,2-propanediol 95.0+%, TCI America™
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CAS: 538-43-2 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.192 MDL Number: MFCD00004717 InChI Key: FNQIYTUXOKTMDM-UHFFFAOYSA-N Synonym: 3-phenoxy-1,2-propanediol,antodyne,phenylglyceryl ether,antodyn,phenol-glycerinaether,phenol glycerol ether,phenol glyceryl ether,1,2-propanediol, 3-phenoxy,1-phenoxy-2,3-propanediol,glycerol alpha-monophenyl ether PubChem CID: 10857 IUPAC Name: 3-phenoxypropane-1,2-diol SMILES: C1=CC=C(C=C1)OCC(CO)O
| PubChem CID | 10857 |
|---|---|
| CAS | 538-43-2 |
| Molecular Weight (g/mol) | 168.192 |
| MDL Number | MFCD00004717 |
| SMILES | C1=CC=C(C=C1)OCC(CO)O |
| Synonym | 3-phenoxy-1,2-propanediol,antodyne,phenylglyceryl ether,antodyn,phenol-glycerinaether,phenol glycerol ether,phenol glyceryl ether,1,2-propanediol, 3-phenoxy,1-phenoxy-2,3-propanediol,glycerol alpha-monophenyl ether |
| IUPAC Name | 3-phenoxypropane-1,2-diol |
| InChI Key | FNQIYTUXOKTMDM-UHFFFAOYSA-N |
| Molecular Formula | C9H12O3 |
Triphenylphosphine Sulfide 99.0+%, TCI America™
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CAS: 3878-45-3 Molecular Formula: C18H15PS Molecular Weight (g/mol): 294.35 MDL Number: MFCD00004917 InChI Key: VYNGFCUGSYEOOZ-UHFFFAOYSA-N Synonym: triphenylphosphine sulfide,phosphine sulfide, triphenyl,triphenylphosphine sulphide,triphenylphosphine monosulfide,triphenylphosphane sulfide,triphenylphosphino-1-thione,triphenylthioxophosphorane,triphenylphosphorus sulfide,wln: spr&r&r,triphenyl-,e5-phosphanethione PubChem CID: 19758 IUPAC Name: triphenyl-λ⁵-phosphanethione SMILES: S=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 19758 |
|---|---|
| CAS | 3878-45-3 |
| Molecular Weight (g/mol) | 294.35 |
| MDL Number | MFCD00004917 |
| SMILES | S=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | triphenylphosphine sulfide,phosphine sulfide, triphenyl,triphenylphosphine sulphide,triphenylphosphine monosulfide,triphenylphosphane sulfide,triphenylphosphino-1-thione,triphenylthioxophosphorane,triphenylphosphorus sulfide,wln: spr&r&r,triphenyl-,e5-phosphanethione |
| IUPAC Name | triphenyl-λ⁵-phosphanethione |
| InChI Key | VYNGFCUGSYEOOZ-UHFFFAOYSA-N |
| Molecular Formula | C18H15PS |
4-Allylanisole 98.0+%, TCI America™
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CAS: 140-67-0 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00008653 InChI Key: ZFMSMUAANRJZFM-UHFFFAOYSA-N Synonym: estragole,4-allylanisole,p-allylanisole,tarragon,methyl chavicol,1-allyl-4-methoxybenzene,estragol,esdragol,esdragole,esdragon PubChem CID: 8815 ChEBI: CHEBI:4867 IUPAC Name: 1-methoxy-4-prop-2-enylbenzene SMILES: COC1=CC=C(C=C1)CC=C
| PubChem CID | 8815 |
|---|---|
| CAS | 140-67-0 |
| Molecular Weight (g/mol) | 148.205 |
| ChEBI | CHEBI:4867 |
| MDL Number | MFCD00008653 |
| SMILES | COC1=CC=C(C=C1)CC=C |
| Synonym | estragole,4-allylanisole,p-allylanisole,tarragon,methyl chavicol,1-allyl-4-methoxybenzene,estragol,esdragol,esdragole,esdragon |
| IUPAC Name | 1-methoxy-4-prop-2-enylbenzene |
| InChI Key | ZFMSMUAANRJZFM-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
5,5'-Dithiobis(2-nitrobenzoic Acid) 98.0+%, TCI America™
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CAS: 69-78-3 Molecular Formula: C14H8N2O8S2 Molecular Weight (g/mol): 396.34 MDL Number: MFCD00007140 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N Synonym: dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid PubChem CID: 6254 ChEBI: CHEBI:86228 IUPAC Name: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid SMILES: OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O
| PubChem CID | 6254 |
|---|---|
| CAS | 69-78-3 |
| Molecular Weight (g/mol) | 396.34 |
| ChEBI | CHEBI:86228 |
| MDL Number | MFCD00007140 |
| SMILES | OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O |
| Synonym | dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid |
| IUPAC Name | 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid |
| InChI Key | KIUMMUBSPKGMOY-UHFFFAOYSA-N |
| Molecular Formula | C14H8N2O8S2 |
3,3-(Diphenyl)acrylonitrile 98.0+%, TCI America™
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CAS: 3531-24-6 Molecular Formula: C15H11N Molecular Weight (g/mol): 205.26 MDL Number: MFCD00045630 InChI Key: RDGWQFSLTSPRBG-UHFFFAOYSA-N PubChem CID: 274352 IUPAC Name: 3,3-diphenylprop-2-enenitrile SMILES: N#CC=C(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 274352 |
|---|---|
| CAS | 3531-24-6 |
| Molecular Weight (g/mol) | 205.26 |
| MDL Number | MFCD00045630 |
| SMILES | N#CC=C(C1=CC=CC=C1)C1=CC=CC=C1 |
| IUPAC Name | 3,3-diphenylprop-2-enenitrile |
| InChI Key | RDGWQFSLTSPRBG-UHFFFAOYSA-N |
| Molecular Formula | C15H11N |
Methyl 2-Bromo-5-nitrobenzoate 98.0+%, TCI America™
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CAS: 6942-36-5 Molecular Formula: C8H6BrNO4 Molecular Weight (g/mol): 260.043 MDL Number: MFCD00010867 InChI Key: VSEYYEKRZNRECT-UHFFFAOYSA-N Synonym: 2-bromo-5-nitrobenzoic acid methyl ester,benzoic acid, 2-bromo-5-nitro-, methyl ester,methyl 2-bromo-5-nitro-benzoate,2-bromo-5-nitro-benzoic acid methyl ester,methyl2-bromo-5-nitrobenzoate,pubchem3971,acmc-1b9le,ksc495k5r,methyl 5-nitro-2-bromobenzoate,methyl-2-bromo-5-nitrobenzoate PubChem CID: 245494 IUPAC Name: methyl 2-bromo-5-nitrobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Br
| PubChem CID | 245494 |
|---|---|
| CAS | 6942-36-5 |
| Molecular Weight (g/mol) | 260.043 |
| MDL Number | MFCD00010867 |
| SMILES | COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Br |
| Synonym | 2-bromo-5-nitrobenzoic acid methyl ester,benzoic acid, 2-bromo-5-nitro-, methyl ester,methyl 2-bromo-5-nitro-benzoate,2-bromo-5-nitro-benzoic acid methyl ester,methyl2-bromo-5-nitrobenzoate,pubchem3971,acmc-1b9le,ksc495k5r,methyl 5-nitro-2-bromobenzoate,methyl-2-bromo-5-nitrobenzoate |
| IUPAC Name | methyl 2-bromo-5-nitrobenzoate |
| InChI Key | VSEYYEKRZNRECT-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrNO4 |
Benzaldehyde Phenylhydrazone 98.0+%, TCI America™
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CAS: 588-64-7 Molecular Formula: C13H12N2 Molecular Weight (g/mol): 196.253 MDL Number: MFCD00051318 InChI Key: JGOAZQAXRONCCI-SDNWHVSQSA-N PubChem CID: 6436752 IUPAC Name: N-[(E)-benzylideneamino]aniline SMILES: C1=CC=C(C=C1)C=NNC2=CC=CC=C2
| PubChem CID | 6436752 |
|---|---|
| CAS | 588-64-7 |
| Molecular Weight (g/mol) | 196.253 |
| MDL Number | MFCD00051318 |
| SMILES | C1=CC=C(C=C1)C=NNC2=CC=CC=C2 |
| IUPAC Name | N-[(E)-benzylideneamino]aniline |
| InChI Key | JGOAZQAXRONCCI-SDNWHVSQSA-N |
| Molecular Formula | C13H12N2 |
2-Aminobenzenethiol 97.0+%, TCI America™
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CAS: 137-07-5 Molecular Formula: C6H7NS Molecular Weight (g/mol): 125.19 MDL Number: MFCD00007702 InChI Key: VRVRGVPWCUEOGV-UHFFFAOYSA-N Synonym: 2-aminothiophenol,o-aminothiophenol,2-mercaptoaniline,o-mercaptoaniline,o-aminobenzenethiol,2-mercaptaniline,benzenethiol, 2-amino,2-amino thiophenol,1-amino-2-mercaptobenzene,2-aminobenzene-1-thiol PubChem CID: 8713 IUPAC Name: 2-aminobenzene-1-thiol SMILES: NC1=CC=CC=C1S
| PubChem CID | 8713 |
|---|---|
| CAS | 137-07-5 |
| Molecular Weight (g/mol) | 125.19 |
| MDL Number | MFCD00007702 |
| SMILES | NC1=CC=CC=C1S |
| Synonym | 2-aminothiophenol,o-aminothiophenol,2-mercaptoaniline,o-mercaptoaniline,o-aminobenzenethiol,2-mercaptaniline,benzenethiol, 2-amino,2-amino thiophenol,1-amino-2-mercaptobenzene,2-aminobenzene-1-thiol |
| IUPAC Name | 2-aminobenzene-1-thiol |
| InChI Key | VRVRGVPWCUEOGV-UHFFFAOYSA-N |
| Molecular Formula | C6H7NS |
2,6-Dibromo-4-methylaniline 98.0+%, TCI America™
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CAS: 6968-24-7 Molecular Formula: C7H7Br2N Molecular Weight (g/mol): 264.948 MDL Number: MFCD00007641 InChI Key: ATDIROHVRVQMRO-UHFFFAOYSA-N Synonym: 2,6-dibromo-p-toluidine,3,5-dibromo-4-aminotoluene,benzenamine, 2,6-dibromo-4-methyl,2,6-dibromo-4-methyl aniline,2,6-dibromo-4-methyl-phenylamine,2,6-dibromo-4-methylphenylamine,2,6-dibromo-4-methyl-benzenamine,pubchem2334,acmc-209oag,2,6-dibromo-p-toludine PubChem CID: 81427 IUPAC Name: 2,6-dibromo-4-methylaniline SMILES: CC1=CC(=C(C(=C1)Br)N)Br
| PubChem CID | 81427 |
|---|---|
| CAS | 6968-24-7 |
| Molecular Weight (g/mol) | 264.948 |
| MDL Number | MFCD00007641 |
| SMILES | CC1=CC(=C(C(=C1)Br)N)Br |
| Synonym | 2,6-dibromo-p-toluidine,3,5-dibromo-4-aminotoluene,benzenamine, 2,6-dibromo-4-methyl,2,6-dibromo-4-methyl aniline,2,6-dibromo-4-methyl-phenylamine,2,6-dibromo-4-methylphenylamine,2,6-dibromo-4-methyl-benzenamine,pubchem2334,acmc-209oag,2,6-dibromo-p-toludine |
| IUPAC Name | 2,6-dibromo-4-methylaniline |
| InChI Key | ATDIROHVRVQMRO-UHFFFAOYSA-N |
| Molecular Formula | C7H7Br2N |
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 |
2-Dimethylaminomethylphenol (contains Phenol) 70.0+%, TCI America™
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CAS: 120-65-0 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.209 MDL Number: MFCD00045793 InChI Key: FUIQBJHUESBZNU-UHFFFAOYSA-N PubChem CID: 32897 IUPAC Name: 2-[(dimethylamino)methyl]phenol SMILES: CN(C)CC1=CC=CC=C1O
| PubChem CID | 32897 |
|---|---|
| CAS | 120-65-0 |
| Molecular Weight (g/mol) | 151.209 |
| MDL Number | MFCD00045793 |
| SMILES | CN(C)CC1=CC=CC=C1O |
| IUPAC Name | 2-[(dimethylamino)methyl]phenol |
| InChI Key | FUIQBJHUESBZNU-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO |