Benzenoids
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4-Chloro-o-cresol 90.0+%, TCI America™
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CAS: 1570-64-5 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.582 MDL Number: MFCD00002321 InChI Key: RHPUJHQBPORFGV-UHFFFAOYSA-N Synonym: 4-chloro-o-cresol,2-methyl-4-chlorophenol,4-chloro-2-cresol,p-chloro-o-cresol,phenol, 4-chloro-2-methyl,o-cresol, 4-chloro,4-chloro-2-methyl phenol,4-chloro-2-methyl-phenol,5-chloro-2-hydroxytoluene,unii-297v63w9ri PubChem CID: 14855 ChEBI: CHEBI:1800 IUPAC Name: 4-chloro-2-methylphenol SMILES: CC1=C(C=CC(=C1)Cl)O
| PubChem CID | 14855 |
|---|---|
| CAS | 1570-64-5 |
| Molecular Weight (g/mol) | 142.582 |
| ChEBI | CHEBI:1800 |
| MDL Number | MFCD00002321 |
| SMILES | CC1=C(C=CC(=C1)Cl)O |
| Synonym | 4-chloro-o-cresol,2-methyl-4-chlorophenol,4-chloro-2-cresol,p-chloro-o-cresol,phenol, 4-chloro-2-methyl,o-cresol, 4-chloro,4-chloro-2-methyl phenol,4-chloro-2-methyl-phenol,5-chloro-2-hydroxytoluene,unii-297v63w9ri |
| IUPAC Name | 4-chloro-2-methylphenol |
| InChI Key | RHPUJHQBPORFGV-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClO |
(4-Bromophenyl)phosphonic Acid 98.0+%, TCI America™
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CAS: 16839-13-7 Molecular Formula: C6H6BrO3P Molecular Weight (g/mol): 236.989 MDL Number: MFCD00159409 InChI Key: XDGIQCFWQNHSMV-UHFFFAOYSA-N PubChem CID: 95011 IUPAC Name: (4-bromophenyl)phosphonic acid SMILES: C1=CC(=CC=C1P(=O)(O)O)Br
| PubChem CID | 95011 |
|---|---|
| CAS | 16839-13-7 |
| Molecular Weight (g/mol) | 236.989 |
| MDL Number | MFCD00159409 |
| SMILES | C1=CC(=CC=C1P(=O)(O)O)Br |
| IUPAC Name | (4-bromophenyl)phosphonic acid |
| InChI Key | XDGIQCFWQNHSMV-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrO3P |
1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane 97.0+%, TCI America™
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CAS: 18084-64-5 Molecular Formula: C36H44N4 Molecular Weight (g/mol): 532.776 InChI Key: VXOJKUWHCFFUCO-UHFFFAOYSA-N PubChem CID: 428363 IUPAC Name: 1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane SMILES: C1CN(CCN(CCN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5
| PubChem CID | 428363 |
|---|---|
| CAS | 18084-64-5 |
| Molecular Weight (g/mol) | 532.776 |
| SMILES | C1CN(CCN(CCN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5 |
| IUPAC Name | 1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane |
| InChI Key | VXOJKUWHCFFUCO-UHFFFAOYSA-N |
| Molecular Formula | C36H44N4 |
2-Fluoro-5-(trifluoromethyl)benzoyl Chloride 98.0+%, TCI America™
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4-Bromo-2-tert-butylphenol 95.0+%, TCI America™
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CAS: 10323-39-4 Molecular Formula: C10H13BrO Molecular Weight (g/mol): 229.12 MDL Number: MFCD00192645 InChI Key: IKMJSWBFODAWTC-UHFFFAOYSA-N PubChem CID: 97068 IUPAC Name: 4-bromo-2-tert-butylphenol SMILES: CC(C)(C)C1=CC(Br)=CC=C1O
| PubChem CID | 97068 |
|---|---|
| CAS | 10323-39-4 |
| Molecular Weight (g/mol) | 229.12 |
| MDL Number | MFCD00192645 |
| SMILES | CC(C)(C)C1=CC(Br)=CC=C1O |
| IUPAC Name | 4-bromo-2-tert-butylphenol |
| InChI Key | IKMJSWBFODAWTC-UHFFFAOYSA-N |
| Molecular Formula | C10H13BrO |
4,4'-Bis(alpha,alpha-dimethylbenzyl)diphenylamine 98.0+%, TCI America™
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CAS: 10081-67-1 Molecular Formula: C30H31N Molecular Weight (g/mol): 405.585 MDL Number: MFCD00337918 InChI Key: UJAWGGOCYUPCPS-UHFFFAOYSA-N PubChem CID: 82343 IUPAC Name: 4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline SMILES: CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)NC3=CC=C(C=C3)C(C)(C)C4=CC=CC=C4
| PubChem CID | 82343 |
|---|---|
| CAS | 10081-67-1 |
| Molecular Weight (g/mol) | 405.585 |
| MDL Number | MFCD00337918 |
| SMILES | CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)NC3=CC=C(C=C3)C(C)(C)C4=CC=CC=C4 |
| IUPAC Name | 4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline |
| InChI Key | UJAWGGOCYUPCPS-UHFFFAOYSA-N |
| Molecular Formula | C30H31N |
2-Fluoro-5-iodobenzoic Acid 98.0+%, TCI America™
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CAS: 124700-41-0 Molecular Formula: C7H4FIO2 Molecular Weight (g/mol): 266.01 MDL Number: MFCD03094517 InChI Key: QNNJHBNTHVHALE-UHFFFAOYSA-N Synonym: benzoic acid, 2-fluoro-5-iodo,2-fluoro-5-iodobenzoicacid,2-fluoro-5-iodo-benzoic acid,pubchem1385,acmc-1c24w,ksc174o6d,rarechem al bo 1479,buttpark 122\01-06,5-iodo-2-fluorobenzoic acid,2-fluoro-5-iodobenzoic acid PubChem CID: 2778925 IUPAC Name: 2-fluoro-5-iodobenzoic acid SMILES: C1=CC(=C(C=C1I)C(=O)O)F
| PubChem CID | 2778925 |
|---|---|
| CAS | 124700-41-0 |
| Molecular Weight (g/mol) | 266.01 |
| MDL Number | MFCD03094517 |
| SMILES | C1=CC(=C(C=C1I)C(=O)O)F |
| Synonym | benzoic acid, 2-fluoro-5-iodo,2-fluoro-5-iodobenzoicacid,2-fluoro-5-iodo-benzoic acid,pubchem1385,acmc-1c24w,ksc174o6d,rarechem al bo 1479,buttpark 122\01-06,5-iodo-2-fluorobenzoic acid,2-fluoro-5-iodobenzoic acid |
| IUPAC Name | 2-fluoro-5-iodobenzoic acid |
| InChI Key | QNNJHBNTHVHALE-UHFFFAOYSA-N |
| Molecular Formula | C7H4FIO2 |
4-Fluoro-3-(trifluoromethyl)benzoic Acid 98.0+%, TCI America™
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CAS: 67515-55-3 Molecular Formula: C8H3F4O2 Molecular Weight (g/mol): 207.10 MDL Number: MFCD00061294 InChI Key: WZBPZYCJUADXRS-UHFFFAOYSA-M Synonym: 4-fluoro-3-trifluoromethyl benzoic acid,4-fluoro-3-trifluomethyl benzoic acid,4-fluoro-3-trifluoromethyl benzoicacid,alpha,alpha,alpha,4-tetrafluoro-m-toluic acid,benzoic acid, 4-fluoro-3-trifluoromethyl,pubchem4972,acmc-1bafh,ksc495k5d,rarechem al bo 0636 PubChem CID: 522268 IUPAC Name: 4-fluoro-3-(trifluoromethyl)benzoate SMILES: [O-]C(=O)C1=CC=C(F)C(=C1)C(F)(F)F
| PubChem CID | 522268 |
|---|---|
| CAS | 67515-55-3 |
| Molecular Weight (g/mol) | 207.10 |
| MDL Number | MFCD00061294 |
| SMILES | [O-]C(=O)C1=CC=C(F)C(=C1)C(F)(F)F |
| Synonym | 4-fluoro-3-trifluoromethyl benzoic acid,4-fluoro-3-trifluomethyl benzoic acid,4-fluoro-3-trifluoromethyl benzoicacid,alpha,alpha,alpha,4-tetrafluoro-m-toluic acid,benzoic acid, 4-fluoro-3-trifluoromethyl,pubchem4972,acmc-1bafh,ksc495k5d,rarechem al bo 0636 |
| IUPAC Name | 4-fluoro-3-(trifluoromethyl)benzoate |
| InChI Key | WZBPZYCJUADXRS-UHFFFAOYSA-M |
| Molecular Formula | C8H3F4O2 |
2,5-Difluoro-4-nitrotoluene 98.0+%, TCI America™
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CAS: 141412-60-4 Molecular Formula: C7H5F2NO2 Molecular Weight (g/mol): 173.12 MDL Number: MFCD06200905 InChI Key: ABWWQMGGJXKGBL-UHFFFAOYSA-N Synonym: 2,5-difluoro-4-nitrotoluene,2,5-difluoro-4-methylnitrobenzene,2,5-difluoro-4-methyl nitrobenzene,benzene, 1,4-difluoro-2-methyl-5-nitro,2,5-difluoro-1-methyl-4-nitrobenzene,1,4-difluoro-2-methyl-5-nitro-benzene,pubchem2555,difluoromethylnitrobenzene,ksc495e0j,acmc-1c025 PubChem CID: 230658 IUPAC Name: 1,4-difluoro-2-methyl-5-nitrobenzene SMILES: CC1=CC(F)=C(C=C1F)[N+]([O-])=O
| PubChem CID | 230658 |
|---|---|
| CAS | 141412-60-4 |
| Molecular Weight (g/mol) | 173.12 |
| MDL Number | MFCD06200905 |
| SMILES | CC1=CC(F)=C(C=C1F)[N+]([O-])=O |
| Synonym | 2,5-difluoro-4-nitrotoluene,2,5-difluoro-4-methylnitrobenzene,2,5-difluoro-4-methyl nitrobenzene,benzene, 1,4-difluoro-2-methyl-5-nitro,2,5-difluoro-1-methyl-4-nitrobenzene,1,4-difluoro-2-methyl-5-nitro-benzene,pubchem2555,difluoromethylnitrobenzene,ksc495e0j,acmc-1c025 |
| IUPAC Name | 1,4-difluoro-2-methyl-5-nitrobenzene |
| InChI Key | ABWWQMGGJXKGBL-UHFFFAOYSA-N |
| Molecular Formula | C7H5F2NO2 |
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 |
Methyl N-Phenylcarbamate 98.0+%, TCI America™
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CAS: 2603-10-3 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00027552 InChI Key: IAGUPODHENSJEZ-UHFFFAOYSA-N Synonym: N-Phenylcarbamic Acid Methyl Ester PubChem CID: 17451 IUPAC Name: methyl N-phenylcarbamate SMILES: COC(=O)NC1=CC=CC=C1
| PubChem CID | 17451 |
|---|---|
| CAS | 2603-10-3 |
| Molecular Weight (g/mol) | 151.17 |
| MDL Number | MFCD00027552 |
| SMILES | COC(=O)NC1=CC=CC=C1 |
| Synonym | N-Phenylcarbamic Acid Methyl Ester |
| IUPAC Name | methyl N-phenylcarbamate |
| InChI Key | IAGUPODHENSJEZ-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
[RuCl(p-cymene)((S)-segphos(regR))]Cl, TCI America™
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CAS: 944451-29-0 Molecular Formula: C48H42Cl2O4P2Ru Molecular Weight (g/mol): 916.778 MDL Number: MFCD09753017 InChI Key: HZLSGDCLBWZKRB-UHFFFAOYSA-L Synonym: Chloro[(S)-(-)-5,5′C-bis(diphenylphosphino)-4,4′C-bi-1,3-benzodioxole](p-cymene)ruthenium(II) Chloride PubChem CID: 72376325 IUPAC Name: dichlororuthenium;[4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane;1-methyl-4-propan-2-ylbenzene SMILES: CC1=CC=C(C=C1)C(C)C.C1OC2=C(O1)C(=C(C=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC6=C5OCO6)P(C7=CC=CC=C7)C8=CC=CC=C8.Cl[Ru]Cl
| PubChem CID | 72376325 |
|---|---|
| CAS | 944451-29-0 |
| Molecular Weight (g/mol) | 916.778 |
| MDL Number | MFCD09753017 |
| SMILES | CC1=CC=C(C=C1)C(C)C.C1OC2=C(O1)C(=C(C=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC6=C5OCO6)P(C7=CC=CC=C7)C8=CC=CC=C8.Cl[Ru]Cl |
| Synonym | Chloro[(S)-(-)-5,5′C-bis(diphenylphosphino)-4,4′C-bi-1,3-benzodioxole](p-cymene)ruthenium(II) Chloride |
| IUPAC Name | dichlororuthenium;[4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane;1-methyl-4-propan-2-ylbenzene |
| InChI Key | HZLSGDCLBWZKRB-UHFFFAOYSA-L |
| Molecular Formula | C48H42Cl2O4P2Ru |
2-(Trimethylsilyl)ethoxymethyltriphenylphosphonium Chloride 98.0+%, TCI America™
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CAS: 82495-75-8 Molecular Formula: C24H30ClOPSi Molecular Weight (g/mol): 429.012 MDL Number: MFCD00043159 InChI Key: NEUMNYXEDIPGJD-UHFFFAOYSA-M Synonym: 2-trimethylsilyl ethoxymethyltriphenylphosphonium chloride,sem-triphenylphosphonium chloride,2-trimethylsilyl ethoxymethyl triphenylphosphonium chloride,phosphonium, triphenyl 2-trimethylsilyl ethoxy methyl-, chloride,acmc-209pp9,2-trimethylsilyl ethoxymethyltriphenylphosphoniumchloride,2-trimethylsilyl ethoxymethyl-triphenylphosphonium chloride,2-trimethylsilyl-ethoxymethyl triphenylphosphonium chloride,triphenyl-2-trimethylsilanyl-ethoxymethyl phosphonium chloride PubChem CID: 11396265 IUPAC Name: triphenyl(2-trimethylsilylethoxymethyl)phosphanium;chloride SMILES: C[Si](C)(C)CCOC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]
| PubChem CID | 11396265 |
|---|---|
| CAS | 82495-75-8 |
| Molecular Weight (g/mol) | 429.012 |
| MDL Number | MFCD00043159 |
| SMILES | C[Si](C)(C)CCOC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-] |
| Synonym | 2-trimethylsilyl ethoxymethyltriphenylphosphonium chloride,sem-triphenylphosphonium chloride,2-trimethylsilyl ethoxymethyl triphenylphosphonium chloride,phosphonium, triphenyl 2-trimethylsilyl ethoxy methyl-, chloride,acmc-209pp9,2-trimethylsilyl ethoxymethyltriphenylphosphoniumchloride,2-trimethylsilyl ethoxymethyl-triphenylphosphonium chloride,2-trimethylsilyl-ethoxymethyl triphenylphosphonium chloride,triphenyl-2-trimethylsilanyl-ethoxymethyl phosphonium chloride |
| IUPAC Name | triphenyl(2-trimethylsilylethoxymethyl)phosphanium;chloride |
| InChI Key | NEUMNYXEDIPGJD-UHFFFAOYSA-M |
| Molecular Formula | C24H30ClOPSi |
4-Acetamidobenzenesulfonyl Chloride 98.0+%, TCI America™
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(4-Hydroxyphenoxy)acetic Acid 99.0+%, TCI America™
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CAS: 1878-84-8 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.148 MDL Number: MFCD00014362 InChI Key: PKGWLCZTTHWKIZ-UHFFFAOYSA-N Synonym: 4-hydroxyphenoxyacetic acid,4-hydroxyphenoxy acetic acid,2-4-hydroxyphenoxy acetic acid,4-hydroxypheoxyacetate,acetic acid, 4-hydroxyphenoxy,4-hydroxy-phenoxy-acetic acid,p-hydroxyphenoxyacetic acid,acetic acid, 2-4-hydroxyphenoxy,acetic acid, p-hydroxyphenoxy,4-carboxymethoxy phenol PubChem CID: 15881 ChEBI: CHEBI:1881 IUPAC Name: 2-(4-hydroxyphenoxy)acetic acid SMILES: C1=CC(=CC=C1O)OCC(=O)O
| PubChem CID | 15881 |
|---|---|
| CAS | 1878-84-8 |
| Molecular Weight (g/mol) | 168.148 |
| ChEBI | CHEBI:1881 |
| MDL Number | MFCD00014362 |
| SMILES | C1=CC(=CC=C1O)OCC(=O)O |
| Synonym | 4-hydroxyphenoxyacetic acid,4-hydroxyphenoxy acetic acid,2-4-hydroxyphenoxy acetic acid,4-hydroxypheoxyacetate,acetic acid, 4-hydroxyphenoxy,4-hydroxy-phenoxy-acetic acid,p-hydroxyphenoxyacetic acid,acetic acid, 2-4-hydroxyphenoxy,acetic acid, p-hydroxyphenoxy,4-carboxymethoxy phenol |
| IUPAC Name | 2-(4-hydroxyphenoxy)acetic acid |
| InChI Key | PKGWLCZTTHWKIZ-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |