Benzenoids
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2-Phenoxybenzaldehyde 96.0+%, TCI America™
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CAS: 19434-34-5 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00800666 InChI Key: IMPIIVKYTNMBCD-UHFFFAOYSA-N Synonym: o-phenoxybenzaldehyde,2-phenoxybenzenecarbaldehyde,2-formyldiphenyl ether,phenoxybenzaldehyde,2-phenoxy-benzaldehyde,pubchem16236,phenoxybenzenecarbaldehyde,opera_id_1384 PubChem CID: 88060 IUPAC Name: 2-phenoxybenzaldehyde SMILES: O=CC1=CC=CC=C1OC1=CC=CC=C1
| PubChem CID | 88060 |
|---|---|
| CAS | 19434-34-5 |
| Molecular Weight (g/mol) | 198.22 |
| MDL Number | MFCD00800666 |
| SMILES | O=CC1=CC=CC=C1OC1=CC=CC=C1 |
| Synonym | o-phenoxybenzaldehyde,2-phenoxybenzenecarbaldehyde,2-formyldiphenyl ether,phenoxybenzaldehyde,2-phenoxy-benzaldehyde,pubchem16236,phenoxybenzenecarbaldehyde,opera_id_1384 |
| IUPAC Name | 2-phenoxybenzaldehyde |
| InChI Key | IMPIIVKYTNMBCD-UHFFFAOYSA-N |
| Molecular Formula | C13H10O2 |
Chrome Pure Blue BX, TCI America™
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CAS: 1796-92-5 Molecular Formula: C23H14Cl2Na2O6 Molecular Weight (g/mol): 503.239 MDL Number: MFCD00036446 InChI Key: JROAZQFKSSYEBL-UHFFFAOYSA-L Synonym: Eriochrome Azurol B, Sunchromine Pure Blue BX, Mordant Blue 1 PubChem CID: 54726806 IUPAC Name: disodium;5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2,6-dichlorophenyl)methyl]-3-methyl-2-oxidobenzoate SMILES: CC1=CC(=CC(=C1[O-])C(=O)[O-])C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3=C(C=CC=C3Cl)Cl.[Na+].[Na+]
| PubChem CID | 54726806 |
|---|---|
| CAS | 1796-92-5 |
| Molecular Weight (g/mol) | 503.239 |
| MDL Number | MFCD00036446 |
| SMILES | CC1=CC(=CC(=C1[O-])C(=O)[O-])C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3=C(C=CC=C3Cl)Cl.[Na+].[Na+] |
| Synonym | Eriochrome Azurol B, Sunchromine Pure Blue BX, Mordant Blue 1 |
| IUPAC Name | disodium;5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2,6-dichlorophenyl)methyl]-3-methyl-2-oxidobenzoate |
| InChI Key | JROAZQFKSSYEBL-UHFFFAOYSA-L |
| Molecular Formula | C23H14Cl2Na2O6 |
4-(4-Phenylbutoxy)benzoic Acid 98.0+%, TCI America™
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CAS: 30131-16-9 Molecular Formula: C17H18O3 Molecular Weight (g/mol): 270.33 MDL Number: MFCD07787608 InChI Key: XWCWFMQMZZPALR-UHFFFAOYSA-N PubChem CID: 11043825 IUPAC Name: 4-(4-phenylbutoxy)benzoic acid SMILES: OC(=O)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1
| PubChem CID | 11043825 |
|---|---|
| CAS | 30131-16-9 |
| Molecular Weight (g/mol) | 270.33 |
| MDL Number | MFCD07787608 |
| SMILES | OC(=O)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1 |
| IUPAC Name | 4-(4-phenylbutoxy)benzoic acid |
| InChI Key | XWCWFMQMZZPALR-UHFFFAOYSA-N |
| Molecular Formula | C17H18O3 |
2-Bromocumene 97.0+%, TCI America™
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CAS: 7073-94-1 Molecular Formula: C9H11Br Molecular Weight (g/mol): 199.091 MDL Number: MFCD00051567 InChI Key: LECYCYNAEJDSIL-UHFFFAOYSA-N Synonym: 1-bromo-2-isopropylbenzene,1-bromo-2-1-methylethyl benzene,2-isopropylbromobenzene,o-bromocumene,2-bromocumene,2-bromo cumene,cumene, o-bromo,benzene, 1-bromo-2-1-methylethyl,1-bromo-2-propan-2-yl benzene,1-bromo-2-isopropyl benzene PubChem CID: 23475 IUPAC Name: 1-bromo-2-propan-2-ylbenzene SMILES: CC(C)C1=CC=CC=C1Br
| PubChem CID | 23475 |
|---|---|
| CAS | 7073-94-1 |
| Molecular Weight (g/mol) | 199.091 |
| MDL Number | MFCD00051567 |
| SMILES | CC(C)C1=CC=CC=C1Br |
| Synonym | 1-bromo-2-isopropylbenzene,1-bromo-2-1-methylethyl benzene,2-isopropylbromobenzene,o-bromocumene,2-bromocumene,2-bromo cumene,cumene, o-bromo,benzene, 1-bromo-2-1-methylethyl,1-bromo-2-propan-2-yl benzene,1-bromo-2-isopropyl benzene |
| IUPAC Name | 1-bromo-2-propan-2-ylbenzene |
| InChI Key | LECYCYNAEJDSIL-UHFFFAOYSA-N |
| Molecular Formula | C9H11Br |
4-Amino-2-bromophenol 98.0+%, TCI America™
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CAS: 16750-67-7 Molecular Formula: C6H6BrNO Molecular Weight (g/mol): 188.02 MDL Number: MFCD06656565 InChI Key: CBQJZWGBFZAUEV-UHFFFAOYSA-N Synonym: 3-Bromo-4-hydroxyaniline PubChem CID: 14440265 IUPAC Name: 4-amino-2-bromophenol SMILES: NC1=CC(Br)=C(O)C=C1
| PubChem CID | 14440265 |
|---|---|
| CAS | 16750-67-7 |
| Molecular Weight (g/mol) | 188.02 |
| MDL Number | MFCD06656565 |
| SMILES | NC1=CC(Br)=C(O)C=C1 |
| Synonym | 3-Bromo-4-hydroxyaniline |
| IUPAC Name | 4-amino-2-bromophenol |
| InChI Key | CBQJZWGBFZAUEV-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrNO |
2-Amino-4-(trifluoromethyl)benzonitrile 98.0+%, TCI America™
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CAS: 1483-54-1 Molecular Formula: C8H5F3N2 Molecular Weight (g/mol): 186.137 MDL Number: MFCD04974124 InChI Key: IAIRNHIXDCZUCV-UHFFFAOYSA-N Synonym: 3-Amino-4-cyanobenzotrifluoride, 2-Cyano-5-(trifluoromethyl)aniline, 4-(Trifluoromethyl)anthranilonitrile PubChem CID: 13439028 IUPAC Name: 2-amino-4-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1C(F)(F)F)N)C#N
| PubChem CID | 13439028 |
|---|---|
| CAS | 1483-54-1 |
| Molecular Weight (g/mol) | 186.137 |
| MDL Number | MFCD04974124 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)N)C#N |
| Synonym | 3-Amino-4-cyanobenzotrifluoride, 2-Cyano-5-(trifluoromethyl)aniline, 4-(Trifluoromethyl)anthranilonitrile |
| IUPAC Name | 2-amino-4-(trifluoromethyl)benzonitrile |
| InChI Key | IAIRNHIXDCZUCV-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3N2 |
(R)-(-)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine 98.0+%, TCI America™
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CAS: 144119-12-0 Molecular Formula: C18H22NO Molecular Weight (g/mol): 268.38 MDL Number: MFCD00145217 InChI Key: XIJAGFLYYNXCAB-QGZVFWFLSA-O Synonym: r-1-methylpyrrolidin-2-yl diphenylmethanol,r---2-hydroxy diphenyl methyl-1-methylpyrrolidine,r-alpha,alpha-diphenylmethylprolinol,2r-1-methylpyrrolidin-2-yl-diphenylmethanol,1,1-diphenyl-n-methyl-d-prolinol,2r-1-methylpyrrolidin-2-yl diphenylmethanol,r-n-methyl-alpha,alpha-diphenyl-2-pyrrolidinemethanol,r-a,a-diphenylmethylprolinol,d-diphenylmethylprolinol,r---diphenyl 1-methylpyrrolidin-2-yl methanol PubChem CID: 853010 IUPAC Name: (2R)-2-(hydroxydiphenylmethyl)-1-methylpyrrolidin-1-ium SMILES: C[NH+]1CCC[C@@H]1C(O)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 853010 |
|---|---|
| CAS | 144119-12-0 |
| Molecular Weight (g/mol) | 268.38 |
| MDL Number | MFCD00145217 |
| SMILES | C[NH+]1CCC[C@@H]1C(O)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | r-1-methylpyrrolidin-2-yl diphenylmethanol,r---2-hydroxy diphenyl methyl-1-methylpyrrolidine,r-alpha,alpha-diphenylmethylprolinol,2r-1-methylpyrrolidin-2-yl-diphenylmethanol,1,1-diphenyl-n-methyl-d-prolinol,2r-1-methylpyrrolidin-2-yl diphenylmethanol,r-n-methyl-alpha,alpha-diphenyl-2-pyrrolidinemethanol,r-a,a-diphenylmethylprolinol,d-diphenylmethylprolinol,r---diphenyl 1-methylpyrrolidin-2-yl methanol |
| IUPAC Name | (2R)-2-(hydroxydiphenylmethyl)-1-methylpyrrolidin-1-ium |
| InChI Key | XIJAGFLYYNXCAB-QGZVFWFLSA-O |
| Molecular Formula | C18H22NO |
2,4-Dichloro-1-iodobenzene 98.0+%, TCI America™
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CAS: 29898-32-6 Molecular Formula: C6H3Cl2I Molecular Weight (g/mol): 272.894 MDL Number: MFCD00001035 InChI Key: ZQKJCBDCOGLKCQ-UHFFFAOYSA-N Synonym: 1,3-dichloro-4-iodobenzene,2,4-dichloroiodobenzene,benzene, 2,4-dichloro-1-iodo,1-iodo-2,4-dichlorobenzene,pubchem3692,2,4-dichlor-jodbenzol,acmc-209hbu,1,3-dichloro4-iodobenzene,1,3-dichloro 4-iodobenzene,2,4-dichloro-1-iodo-benzene PubChem CID: 96864 IUPAC Name: 2,4-dichloro-1-iodobenzene SMILES: C1=CC(=C(C=C1Cl)Cl)I
| PubChem CID | 96864 |
|---|---|
| CAS | 29898-32-6 |
| Molecular Weight (g/mol) | 272.894 |
| MDL Number | MFCD00001035 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)I |
| Synonym | 1,3-dichloro-4-iodobenzene,2,4-dichloroiodobenzene,benzene, 2,4-dichloro-1-iodo,1-iodo-2,4-dichlorobenzene,pubchem3692,2,4-dichlor-jodbenzol,acmc-209hbu,1,3-dichloro4-iodobenzene,1,3-dichloro 4-iodobenzene,2,4-dichloro-1-iodo-benzene |
| IUPAC Name | 2,4-dichloro-1-iodobenzene |
| InChI Key | ZQKJCBDCOGLKCQ-UHFFFAOYSA-N |
| Molecular Formula | C6H3Cl2I |
(+)-1,4-Di-O-benzyl-D-threitol 98.0+%, TCI America™
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CAS: 91604-41-0 Molecular Formula: C18H22O4 Molecular Weight (g/mol): 302.37 MDL Number: MFCD00077722 InChI Key: YAVAVQDYJARRAU-UHFFFAOYNA-N Synonym: (+)-(2R,3R)-1,4-Bis(benzyloxy)-2,3-butanediol PubChem CID: 7004210 IUPAC Name: 1,4-bis(benzyloxy)butane-2,3-diol SMILES: OC(COCC1=CC=CC=C1)C(O)COCC1=CC=CC=C1
| PubChem CID | 7004210 |
|---|---|
| CAS | 91604-41-0 |
| Molecular Weight (g/mol) | 302.37 |
| MDL Number | MFCD00077722 |
| SMILES | OC(COCC1=CC=CC=C1)C(O)COCC1=CC=CC=C1 |
| Synonym | (+)-(2R,3R)-1,4-Bis(benzyloxy)-2,3-butanediol |
| IUPAC Name | 1,4-bis(benzyloxy)butane-2,3-diol |
| InChI Key | YAVAVQDYJARRAU-UHFFFAOYNA-N |
| Molecular Formula | C18H22O4 |
Diphenyliodonium Hexafluorophosphate 97.0+%, TCI America™
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CAS: 58109-40-3 Molecular Formula: C12H10I Molecular Weight (g/mol): 281.12 MDL Number: MFCD00061398 InChI Key: OZLBDYMWFAHSOQ-UHFFFAOYSA-N Synonym: diphenyliodonium hexafluorophosphate,diphenyliodanium hexafluorophosphate,diphenyliodonium hexafluorophosphate v,iodonium, diphenyl-, hexafluorophosphate 1-,iodonium, diphenyl-, hexafluorophosphate 1-1:1,diphenyliodonium pf6,dpihfp,acmc-209m2o,phi + pf6-,diphenyliodanium; hexafluoro-$l^ 5-phosphanuide PubChem CID: 2737136 IUPAC Name: diphenyliodanium SMILES: [I+](C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2737136 |
|---|---|
| CAS | 58109-40-3 |
| Molecular Weight (g/mol) | 281.12 |
| MDL Number | MFCD00061398 |
| SMILES | [I+](C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | diphenyliodonium hexafluorophosphate,diphenyliodanium hexafluorophosphate,diphenyliodonium hexafluorophosphate v,iodonium, diphenyl-, hexafluorophosphate 1-,iodonium, diphenyl-, hexafluorophosphate 1-1:1,diphenyliodonium pf6,dpihfp,acmc-209m2o,phi + pf6-,diphenyliodanium; hexafluoro-$l^ 5-phosphanuide |
| IUPAC Name | diphenyliodanium |
| InChI Key | OZLBDYMWFAHSOQ-UHFFFAOYSA-N |
| Molecular Formula | C12H10I |
9,9-Bis[4-(2-hydroxyethoxy)phenyl]fluorene 98.0+%, TCI America™
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CAS: 117344-32-8 Molecular Formula: C29H26O4 Molecular Weight (g/mol): 438.52 MDL Number: MFCD00216628 InChI Key: NQXNYVAALXGLQT-UHFFFAOYSA-N PubChem CID: 3764404 IUPAC Name: 2-(4-{9-[4-(2-hydroxyethoxy)phenyl]-9H-fluoren-9-yl}phenoxy)ethan-1-ol SMILES: OCCOC1=CC=C(C=C1)C1(C2=CC=CC=C2C2=CC=CC=C12)C1=CC=C(OCCO)C=C1
| PubChem CID | 3764404 |
|---|---|
| CAS | 117344-32-8 |
| Molecular Weight (g/mol) | 438.52 |
| MDL Number | MFCD00216628 |
| SMILES | OCCOC1=CC=C(C=C1)C1(C2=CC=CC=C2C2=CC=CC=C12)C1=CC=C(OCCO)C=C1 |
| IUPAC Name | 2-(4-{9-[4-(2-hydroxyethoxy)phenyl]-9H-fluoren-9-yl}phenoxy)ethan-1-ol |
| InChI Key | NQXNYVAALXGLQT-UHFFFAOYSA-N |
| Molecular Formula | C29H26O4 |
1-Bromo-2-chloro-3-fluorobenzene 98.0+%, TCI America™
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CAS: 883499-24-9 Molecular Formula: C6H3BrClF Molecular Weight (g/mol): 209.442 MDL Number: MFCD04038306 InChI Key: GTIWFNAUYPVPAT-UHFFFAOYSA-N PubChem CID: 3739301 IUPAC Name: 1-bromo-2-chloro-3-fluorobenzene SMILES: C1=CC(=C(C(=C1)Br)Cl)F
| PubChem CID | 3739301 |
|---|---|
| CAS | 883499-24-9 |
| Molecular Weight (g/mol) | 209.442 |
| MDL Number | MFCD04038306 |
| SMILES | C1=CC(=C(C(=C1)Br)Cl)F |
| IUPAC Name | 1-bromo-2-chloro-3-fluorobenzene |
| InChI Key | GTIWFNAUYPVPAT-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrClF |
2,4-Dichloroanisole 97.0+%, TCI America™
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CAS: 553-82-2 Molecular Formula: C7H6Cl2O Molecular Weight (g/mol): 177.02 MDL Number: MFCD00044772 InChI Key: CICQUFBZCADHHX-UHFFFAOYSA-N Synonym: 2,4-dichloroanisole,benzene, 2,4-dichloro-1-methoxy,1,5-dichloro-2-methoxybenzene,2,4-dichloro-1-methoxy-benzene,anisole, 2,4-dichloro,2,4-dichloromethoxybenzene,anisole,4-dichloro,acmc-209lmo,ksc273i7j PubChem CID: 11119 IUPAC Name: 2,4-dichloro-1-methoxybenzene SMILES: COC1=CC=C(Cl)C=C1Cl
| PubChem CID | 11119 |
|---|---|
| CAS | 553-82-2 |
| Molecular Weight (g/mol) | 177.02 |
| MDL Number | MFCD00044772 |
| SMILES | COC1=CC=C(Cl)C=C1Cl |
| Synonym | 2,4-dichloroanisole,benzene, 2,4-dichloro-1-methoxy,1,5-dichloro-2-methoxybenzene,2,4-dichloro-1-methoxy-benzene,anisole, 2,4-dichloro,2,4-dichloromethoxybenzene,anisole,4-dichloro,acmc-209lmo,ksc273i7j |
| IUPAC Name | 2,4-dichloro-1-methoxybenzene |
| InChI Key | CICQUFBZCADHHX-UHFFFAOYSA-N |
| Molecular Formula | C7H6Cl2O |
Ethyl 3,4-Dihydroxybenzoate 98.0+%, TCI America™
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CAS: 3943-89-3 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002199 InChI Key: KBPUBCVJHFXPOC-UHFFFAOYSA-N Synonym: ethyl protocatechuate,3,4-dihydroxybenzoic acid ethyl ester,ethyl-3,4-dihydroxybenzoate,unii-4ygj96wtbg,benzoic acid, 3,4-dihydroxy-, ethyl ester,edhb,protocatechuic acid ethyl ester,4ygj96wtbg,3,4-dihydroxy-benzoic acid ethyl ester PubChem CID: 77547 IUPAC Name: ethyl 3,4-dihydroxybenzoate SMILES: CCOC(=O)C1=CC=C(O)C(O)=C1
| PubChem CID | 77547 |
|---|---|
| CAS | 3943-89-3 |
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD00002199 |
| SMILES | CCOC(=O)C1=CC=C(O)C(O)=C1 |
| Synonym | ethyl protocatechuate,3,4-dihydroxybenzoic acid ethyl ester,ethyl-3,4-dihydroxybenzoate,unii-4ygj96wtbg,benzoic acid, 3,4-dihydroxy-, ethyl ester,edhb,protocatechuic acid ethyl ester,4ygj96wtbg,3,4-dihydroxy-benzoic acid ethyl ester |
| IUPAC Name | ethyl 3,4-dihydroxybenzoate |
| InChI Key | KBPUBCVJHFXPOC-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-beta-alanine 99.0+%, TCI America™
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CAS: 35737-10-1 Molecular Formula: C18H16NO4 Molecular Weight (g/mol): 310.33 MDL Number: MFCD00063328 InChI Key: LINBWYYLPWJQHE-UHFFFAOYSA-M Synonym: fmoc-beta-alanine,fmoc-beta-ala-oh,fmoc-b-ala-oh,fmoc-?-ala-oh,n-fmoc-beta-alanine,fmoc-b-alanine,3-9h-fluoren-9-ylmethoxy carbonyl amino propanoic acid,fmoc-,a-ala-oh,3-9h-fluoren-9-yl methoxy carbonyl amino propanoic acid,n-9h-fluoren-9-ylmethoxy carbonyl-beta-alanine PubChem CID: 2724630 IUPAC Name: 3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoate SMILES: [O-]C(=O)CCNC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12
| PubChem CID | 2724630 |
|---|---|
| CAS | 35737-10-1 |
| Molecular Weight (g/mol) | 310.33 |
| MDL Number | MFCD00063328 |
| SMILES | [O-]C(=O)CCNC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12 |
| Synonym | fmoc-beta-alanine,fmoc-beta-ala-oh,fmoc-b-ala-oh,fmoc-?-ala-oh,n-fmoc-beta-alanine,fmoc-b-alanine,3-9h-fluoren-9-ylmethoxy carbonyl amino propanoic acid,fmoc-,a-ala-oh,3-9h-fluoren-9-yl methoxy carbonyl amino propanoic acid,n-9h-fluoren-9-ylmethoxy carbonyl-beta-alanine |
| IUPAC Name | 3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoate |
| InChI Key | LINBWYYLPWJQHE-UHFFFAOYSA-M |
| Molecular Formula | C18H16NO4 |