Benzenoids
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[NH2Me2][(RuCl((S)-dm-segphos(regR)))2(mu-Cl)3], TCI America™
CAS: 944451-14-3 Molecular Formula: C94H99Cl5NO8P4Ru2+ Molecular Weight (g/mol): 1874.11 MDL Number: MFCD09753038 InChI Key: CABGTUSYWYURQC-UHFFFAOYSA-M Synonym: Dimethylammonium Dichlorotri(mu-chloro)bis[(S)-(-)-5,5′C-bis[di(3,5-xylyl)phosphino]-4,4′C-bi-1,3-benzodioxole]diruthenate(II) PubChem CID: 121233602 IUPAC Name: [4-[5-bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;N-methylmethanamine;ruthenium;trichloronioruthenium(1-);chloride;hydrochloride SMILES: CC1=CC(=CC(=C1)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.CC1=CC(=CC(=C1)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.CNC.Cl.[Cl-].[ClH+][Ru-]([ClH
| PubChem CID | 121233602 |
|---|---|
| CAS | 944451-14-3 |
| Molecular Weight (g/mol) | 1874.11 |
| MDL Number | MFCD09753038 |
| SMILES | CC1=CC(=CC(=C1)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.CC1=CC(=CC(=C1)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.CNC.Cl.[Cl-].[ClH+][Ru-]([ClH |
| Synonym | Dimethylammonium Dichlorotri(mu-chloro)bis[(S)-(-)-5,5′C-bis[di(3,5-xylyl)phosphino]-4,4′C-bi-1,3-benzodioxole]diruthenate(II) |
| IUPAC Name | [4-[5-bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;N-methylmethanamine;ruthenium;trichloronioruthenium(1-);chloride;hydrochloride |
| InChI Key | CABGTUSYWYURQC-UHFFFAOYSA-M |
| Molecular Formula | C94H99Cl5NO8P4Ru2+ |
9,9-Bis(4-glycidyloxy-3-methylphenyl)fluorene 97.0+%, TCI America™
CAS: 114205-89-9 Molecular Formula: C33H30O4 Molecular Weight (g/mol): 490.60 MDL Number: MFCD22494984 InChI Key: ABXGZTBEQZOCEE-UHFFFAOYNA-N Synonym: 9,9-Bis(4-hydroxy-3-methylphenyl)fluorene Diglycidyl Ether PubChem CID: 20160952 IUPAC Name: 2-{[2-methyl-4-(9-{3-methyl-4-[(oxiran-2-yl)methoxy]phenyl}-9H-fluoren-9-yl)phenoxy]methyl}oxirane SMILES: CC1=C(OCC2CO2)C=CC(=C1)C1(C2=CC=CC=C2C2=CC=CC=C12)C1=CC(C)=C(OCC2CO2)C=C1
| PubChem CID | 20160952 |
|---|---|
| CAS | 114205-89-9 |
| Molecular Weight (g/mol) | 490.60 |
| MDL Number | MFCD22494984 |
| SMILES | CC1=C(OCC2CO2)C=CC(=C1)C1(C2=CC=CC=C2C2=CC=CC=C12)C1=CC(C)=C(OCC2CO2)C=C1 |
| Synonym | 9,9-Bis(4-hydroxy-3-methylphenyl)fluorene Diglycidyl Ether |
| IUPAC Name | 2-{[2-methyl-4-(9-{3-methyl-4-[(oxiran-2-yl)methoxy]phenyl}-9H-fluoren-9-yl)phenoxy]methyl}oxirane |
| InChI Key | ABXGZTBEQZOCEE-UHFFFAOYNA-N |
| Molecular Formula | C33H30O4 |
1-Nitro-4-(trifluoromethoxy)benzene 96.0+%, TCI America™
CAS: 713-65-5 Molecular Formula: C7H4F3NO3 Molecular Weight (g/mol): 207.11 MDL Number: MFCD00040302 InChI Key: UBEIKVUMDBCCRW-UHFFFAOYSA-N Synonym: 1-nitro-4-trifluoromethoxy benzene,4-trifluoromethoxy nitrobenzene,p-nitrotrifluoromethoxybenzene,4-nitro-1-trifluoromethoxybenzene,1-nitro-4-trifluoromethoxy-benzene,p-nitrotrifluoromethoxybenzen,benzene, 1-nitro-4-trifluoromethoxy,alpha,alpha,alpha-trifluoro-4'-nitroanisole,p-nitrotrifluoroanisole PubChem CID: 522405 IUPAC Name: 1-nitro-4-(trifluoromethoxy)benzene SMILES: [O-][N+](=O)C1=CC=C(OC(F)(F)F)C=C1
| PubChem CID | 522405 |
|---|---|
| CAS | 713-65-5 |
| Molecular Weight (g/mol) | 207.11 |
| MDL Number | MFCD00040302 |
| SMILES | [O-][N+](=O)C1=CC=C(OC(F)(F)F)C=C1 |
| Synonym | 1-nitro-4-trifluoromethoxy benzene,4-trifluoromethoxy nitrobenzene,p-nitrotrifluoromethoxybenzene,4-nitro-1-trifluoromethoxybenzene,1-nitro-4-trifluoromethoxy-benzene,p-nitrotrifluoromethoxybenzen,benzene, 1-nitro-4-trifluoromethoxy,alpha,alpha,alpha-trifluoro-4'-nitroanisole,p-nitrotrifluoroanisole |
| IUPAC Name | 1-nitro-4-(trifluoromethoxy)benzene |
| InChI Key | UBEIKVUMDBCCRW-UHFFFAOYSA-N |
| Molecular Formula | C7H4F3NO3 |
m-Toluic Acid 98.0+%, TCI America™
CAS: 99-04-7 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002523 InChI Key: GPSDUZXPYCFOSQ-UHFFFAOYSA-N Synonym: m-toluic acid,m-toluylic acid,3-toluic acid,benzoic acid, 3-methyl,meta-toluic acid,m-methylbenzoic acid,beta-methylbenzoic acid,3-methyl-benzoic acid,beta-bethylbenzoic acid,unii-1ua7k8eext PubChem CID: 7418 ChEBI: CHEBI:10589 IUPAC Name: 3-methylbenzoic acid SMILES: CC1=CC=CC(=C1)C(O)=O
| PubChem CID | 7418 |
|---|---|
| CAS | 99-04-7 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:10589 |
| MDL Number | MFCD00002523 |
| SMILES | CC1=CC=CC(=C1)C(O)=O |
| Synonym | m-toluic acid,m-toluylic acid,3-toluic acid,benzoic acid, 3-methyl,meta-toluic acid,m-methylbenzoic acid,beta-methylbenzoic acid,3-methyl-benzoic acid,beta-bethylbenzoic acid,unii-1ua7k8eext |
| IUPAC Name | 3-methylbenzoic acid |
| InChI Key | GPSDUZXPYCFOSQ-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
Benzoylthiocholine Iodide 98.0+%, TCI America™
CAS: 10561-14-5 Molecular Formula: C12H18INOS Molecular Weight (g/mol): 351.25 MDL Number: MFCD00059970 InChI Key: PCGVSJGEHWZOBK-UHFFFAOYSA-M PubChem CID: 13960252 IUPAC Name: [2-(benzoylsulfanyl)ethyl]trimethylazanium iodide SMILES: [I-].C[N+](C)(C)CCSC(=O)C1=CC=CC=C1
| PubChem CID | 13960252 |
|---|---|
| CAS | 10561-14-5 |
| Molecular Weight (g/mol) | 351.25 |
| MDL Number | MFCD00059970 |
| SMILES | [I-].C[N+](C)(C)CCSC(=O)C1=CC=CC=C1 |
| IUPAC Name | [2-(benzoylsulfanyl)ethyl]trimethylazanium iodide |
| InChI Key | PCGVSJGEHWZOBK-UHFFFAOYSA-M |
| Molecular Formula | C12H18INOS |
Phthalamic Acid 98.0+%, TCI America™
CAS: 88-97-1 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.148 MDL Number: MFCD00025476 InChI Key: CYMRPDYINXWJFU-UHFFFAOYSA-N Synonym: phthalamic acid,phthalamidic acid,phthalamide acid,phthalic monoamide,phthalic acid monoamide,o-carbamoylbenzoic acid,benzoic acid, 2-aminocarbonyl,benzoic acid, o-carbamoyl,unii-v344h4pf3y,2-aminocarbonyl benzoic acid PubChem CID: 6957 ChEBI: CHEBI:50736 IUPAC Name: 2-carbamoylbenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)N)C(=O)O
| PubChem CID | 6957 |
|---|---|
| CAS | 88-97-1 |
| Molecular Weight (g/mol) | 165.148 |
| ChEBI | CHEBI:50736 |
| MDL Number | MFCD00025476 |
| SMILES | C1=CC=C(C(=C1)C(=O)N)C(=O)O |
| Synonym | phthalamic acid,phthalamidic acid,phthalamide acid,phthalic monoamide,phthalic acid monoamide,o-carbamoylbenzoic acid,benzoic acid, 2-aminocarbonyl,benzoic acid, o-carbamoyl,unii-v344h4pf3y,2-aminocarbonyl benzoic acid |
| IUPAC Name | 2-carbamoylbenzoic acid |
| InChI Key | CYMRPDYINXWJFU-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO3 |
4-Amino-2,3-xylenol 98.0+%, TCI America™
CAS: 3096-69-3 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.182 MDL Number: MFCD00070554 InChI Key: UBKPLLYABUUFCE-UHFFFAOYSA-N Synonym: 4-Amino-2,3-dimethylphenol, 4-Hydroxy-2,3-dimethylaniline PubChem CID: 76542 IUPAC Name: 4-amino-2,3-dimethylphenol SMILES: CC1=C(C=CC(=C1C)O)N
| PubChem CID | 76542 |
|---|---|
| CAS | 3096-69-3 |
| Molecular Weight (g/mol) | 137.182 |
| MDL Number | MFCD00070554 |
| SMILES | CC1=C(C=CC(=C1C)O)N |
| Synonym | 4-Amino-2,3-dimethylphenol, 4-Hydroxy-2,3-dimethylaniline |
| IUPAC Name | 4-amino-2,3-dimethylphenol |
| InChI Key | UBKPLLYABUUFCE-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |
2,3,4,5,6-Pentafluorobenzophenone 98.0+%, TCI America™
CAS: 1536-23-8 Molecular Formula: C13H5F5O Molecular Weight (g/mol): 272.17 MDL Number: MFCD00000294 InChI Key: HCCPWBWOSASKLG-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluorobenzophenone,pentafluorobenzophenone,perfluorophenyl phenyl methanone,pentafluorophenyl phenyl methanone,methanone, pentafluorophenyl phenyl,benzophenone, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluorophenyl phenyl methanone,2,3,4,5,6-pentafluorophenyl phenyl ketone,benzoylpentafluorobenzene,acmc-1bvr7 PubChem CID: 73755 IUPAC Name: (2,3,4,5,6-pentafluorophenyl)(phenyl)methanone SMILES: FC1=C(F)C(F)=C(C(=O)C2=CC=CC=C2)C(F)=C1F
| PubChem CID | 73755 |
|---|---|
| CAS | 1536-23-8 |
| Molecular Weight (g/mol) | 272.17 |
| MDL Number | MFCD00000294 |
| SMILES | FC1=C(F)C(F)=C(C(=O)C2=CC=CC=C2)C(F)=C1F |
| Synonym | 2,3,4,5,6-pentafluorobenzophenone,pentafluorobenzophenone,perfluorophenyl phenyl methanone,pentafluorophenyl phenyl methanone,methanone, pentafluorophenyl phenyl,benzophenone, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluorophenyl phenyl methanone,2,3,4,5,6-pentafluorophenyl phenyl ketone,benzoylpentafluorobenzene,acmc-1bvr7 |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl)(phenyl)methanone |
| InChI Key | HCCPWBWOSASKLG-UHFFFAOYSA-N |
| Molecular Formula | C13H5F5O |
(Phenylthio)acetonitrile 98.0+%, TCI America™
CAS: 5219-61-4 Molecular Formula: C8H7NS Molecular Weight (g/mol): 149.21 MDL Number: MFCD00019831 InChI Key: QMJWPWCKRKHUNY-UHFFFAOYSA-N Synonym: phenylthio acetonitrile,phenylthioacetonitrile,2-phenylthio acetonitrile,acetonitrile, phenylthio,phenylmercaptoacetonitrile,cyanomethyl phenyl sulfide,2-phenylsulfanyl acetonitrile,2-phenylthioethanenitrile,acmc-209ky7,phenylmercapto acetonitrile PubChem CID: 78891 IUPAC Name: 2-(phenylsulfanyl)acetonitrile SMILES: N#CCSC1=CC=CC=C1
| PubChem CID | 78891 |
|---|---|
| CAS | 5219-61-4 |
| Molecular Weight (g/mol) | 149.21 |
| MDL Number | MFCD00019831 |
| SMILES | N#CCSC1=CC=CC=C1 |
| Synonym | phenylthio acetonitrile,phenylthioacetonitrile,2-phenylthio acetonitrile,acetonitrile, phenylthio,phenylmercaptoacetonitrile,cyanomethyl phenyl sulfide,2-phenylsulfanyl acetonitrile,2-phenylthioethanenitrile,acmc-209ky7,phenylmercapto acetonitrile |
| IUPAC Name | 2-(phenylsulfanyl)acetonitrile |
| InChI Key | QMJWPWCKRKHUNY-UHFFFAOYSA-N |
| Molecular Formula | C8H7NS |
2-Phenylbutyrophenone 98.0+%, TCI America™
CAS: 16282-16-9 Molecular Formula: C16H16O Molecular Weight (g/mol): 224.303 MDL Number: MFCD00010344 InChI Key: UHKJKVIZTFFFSB-UHFFFAOYSA-N Synonym: 1,2-diphenyl-1-butanone,alpha-ethyldeoxybenzoin,alpha-ethyl deoxybenzoin,2-phenylbutyrophenone,1,2-diphenyl-butan-1-one,1-butanone, 1,2-diphenyl,phenylbutyrophenone,pubchem20785,butyrophenone, 2-phenyl,1-butanone,1,2-diphenyl PubChem CID: 297636 IUPAC Name: 1,2-diphenylbutan-1-one SMILES: CCC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
| PubChem CID | 297636 |
|---|---|
| CAS | 16282-16-9 |
| Molecular Weight (g/mol) | 224.303 |
| MDL Number | MFCD00010344 |
| SMILES | CCC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2 |
| Synonym | 1,2-diphenyl-1-butanone,alpha-ethyldeoxybenzoin,alpha-ethyl deoxybenzoin,2-phenylbutyrophenone,1,2-diphenyl-butan-1-one,1-butanone, 1,2-diphenyl,phenylbutyrophenone,pubchem20785,butyrophenone, 2-phenyl,1-butanone,1,2-diphenyl |
| IUPAC Name | 1,2-diphenylbutan-1-one |
| InChI Key | UHKJKVIZTFFFSB-UHFFFAOYSA-N |
| Molecular Formula | C16H16O |
3-Fluorobenzyl Chloride 95.0+%, TCI America™
CAS: 456-42-8 Molecular Formula: C7H6ClF Molecular Weight (g/mol): 144.573 MDL Number: MFCD00000904 InChI Key: XBDXMDVEZLOGMC-UHFFFAOYSA-N Synonym: 3-fluorobenzyl chloride,1-chloromethyl-3-fluorobenzene,m-fluorobenzyl chloride,benzene, 1-chloromethyl-3-fluoro,3-fluorobenzylchloride,alpha-chloro-3-fluorotoluene,alpha-chloro-m-fluorotoluene,fluorobenzyl-3 chloride,toluene, .alpha.-chloro-m-fluoro,.alpha.-chloro-m-fluorotoluene PubChem CID: 9974 IUPAC Name: 1-(chloromethyl)-3-fluorobenzene SMILES: C1=CC(=CC(=C1)F)CCl
| PubChem CID | 9974 |
|---|---|
| CAS | 456-42-8 |
| Molecular Weight (g/mol) | 144.573 |
| MDL Number | MFCD00000904 |
| SMILES | C1=CC(=CC(=C1)F)CCl |
| Synonym | 3-fluorobenzyl chloride,1-chloromethyl-3-fluorobenzene,m-fluorobenzyl chloride,benzene, 1-chloromethyl-3-fluoro,3-fluorobenzylchloride,alpha-chloro-3-fluorotoluene,alpha-chloro-m-fluorotoluene,fluorobenzyl-3 chloride,toluene, .alpha.-chloro-m-fluoro,.alpha.-chloro-m-fluorotoluene |
| IUPAC Name | 1-(chloromethyl)-3-fluorobenzene |
| InChI Key | XBDXMDVEZLOGMC-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClF |
3-Fluorophenol 98.0+%, TCI America™
CAS: 372-20-3 Molecular Formula: C6H5FO Molecular Weight (g/mol): 112.103 MDL Number: MFCD00002254 InChI Key: SJTBRFHBXDZMPS-UHFFFAOYSA-N Synonym: m-fluorophenol,phenol, 3-fluoro,3-fluoro-phenol,phenol, m-fluoro,meta-fluorophenol,unii-t7oma38487,m-fluoro-phenol,3-fluorphenol,3-fluorophenol,3-fluoro phenol PubChem CID: 9743 IUPAC Name: 3-fluorophenol SMILES: C1=CC(=CC(=C1)F)O
| PubChem CID | 9743 |
|---|---|
| CAS | 372-20-3 |
| Molecular Weight (g/mol) | 112.103 |
| MDL Number | MFCD00002254 |
| SMILES | C1=CC(=CC(=C1)F)O |
| Synonym | m-fluorophenol,phenol, 3-fluoro,3-fluoro-phenol,phenol, m-fluoro,meta-fluorophenol,unii-t7oma38487,m-fluoro-phenol,3-fluorphenol,3-fluorophenol,3-fluoro phenol |
| IUPAC Name | 3-fluorophenol |
| InChI Key | SJTBRFHBXDZMPS-UHFFFAOYSA-N |
| Molecular Formula | C6H5FO |
2-Aminodiphenyl Ether 98.0+%, TCI America™
CAS: 2688-84-8 Molecular Formula: C12H11NO Molecular Weight (g/mol): 185.226 MDL Number: MFCD00035765 InChI Key: NMFFUUFPJJOWHK-UHFFFAOYSA-N Synonym: 2-aminodiphenyl ether,o-phenoxyaniline,2-aminophenyl phenyl ether,benzenamine, 2-phenoxy,2-ade,2-phenoxybenzenamine,o-aminophenyl phenyl ether,aniline, 2-phenoxy,aniline, o-phenoxy,2-phonoxyaniline PubChem CID: 75899 IUPAC Name: 2-phenoxyaniline SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2N
| PubChem CID | 75899 |
|---|---|
| CAS | 2688-84-8 |
| Molecular Weight (g/mol) | 185.226 |
| MDL Number | MFCD00035765 |
| SMILES | C1=CC=C(C=C1)OC2=CC=CC=C2N |
| Synonym | 2-aminodiphenyl ether,o-phenoxyaniline,2-aminophenyl phenyl ether,benzenamine, 2-phenoxy,2-ade,2-phenoxybenzenamine,o-aminophenyl phenyl ether,aniline, 2-phenoxy,aniline, o-phenoxy,2-phonoxyaniline |
| IUPAC Name | 2-phenoxyaniline |
| InChI Key | NMFFUUFPJJOWHK-UHFFFAOYSA-N |
| Molecular Formula | C12H11NO |
4-Nitrophthalic Acid 98.0+%, TCI America™
CAS: 610-27-5 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007252 InChI Key: SLBQXWXKPNIVSQ-UHFFFAOYSA-N Synonym: 4-nitrophthalic acid,5-nitrophthalic acid,4-nitrobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-nitro,phthalic acid, 4-nitro,4-nitrophthalicacid,p-nitrophthalic acid,4-nitro-phthalic acid,acmc-209mo8 PubChem CID: 69121 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O
| PubChem CID | 69121 |
|---|---|
| CAS | 610-27-5 |
| Molecular Weight (g/mol) | 211.129 |
| MDL Number | MFCD00007252 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O |
| Synonym | 4-nitrophthalic acid,5-nitrophthalic acid,4-nitrobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-nitro,phthalic acid, 4-nitro,4-nitrophthalicacid,p-nitrophthalic acid,4-nitro-phthalic acid,acmc-209mo8 |
| InChI Key | SLBQXWXKPNIVSQ-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO6 |
9,9-Bis(4-amino-3-fluorophenyl)fluorene 98.0+%, TCI America™
CAS: 127926-65-2 Molecular Formula: C25H18F2N2 Molecular Weight (g/mol): 384.43 InChI Key: RXNKCIBVUNMMAD-UHFFFAOYSA-N Synonym: 2,2′C-Difluoro-4,4′C-(9-fluorenylidene)dianiline PubChem CID: 44629774 IUPAC Name: 4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC(=C(C=C4)N)F)C5=CC(=C(C=C5)N)F
| PubChem CID | 44629774 |
|---|---|
| CAS | 127926-65-2 |
| Molecular Weight (g/mol) | 384.43 |
| SMILES | C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC(=C(C=C4)N)F)C5=CC(=C(C=C5)N)F |
| Synonym | 2,2′C-Difluoro-4,4′C-(9-fluorenylidene)dianiline |
| IUPAC Name | 4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline |
| InChI Key | RXNKCIBVUNMMAD-UHFFFAOYSA-N |
| Molecular Formula | C25H18F2N2 |