Benzenoids
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9,10-Bis(phenylethynyl)anthracene 98.0+%, TCI America™
CAS: 10075-85-1 Molecular Formula: C30H18 Molecular Weight (g/mol): 378.474 MDL Number: MFCD00012050 InChI Key: ZHBOFZNNPZNWGB-UHFFFAOYSA-N Synonym: 9,10-bis phenylethynyl anthracene,9,10-bis 2-phenylethynyl anthracene,anthracene, 9,10-bis phenylethynyl,bpea,anthracene, 9,10-bis 2-phenylethynyl,bis phcc-anthracene,unii-fc8jdb70dq,9,10-bis phenylvinyl anthracene,fc8jdb70dq,9,10-bis-phenylethynyl anthracene PubChem CID: 82338 ChEBI: CHEBI:51675 IUPAC Name: 9,10-bis(2-phenylethynyl)anthracene SMILES: C1=CC=C(C=C1)C#CC2=C3C=CC=CC3=C(C4=CC=CC=C42)C#CC5=CC=CC=C5
| PubChem CID | 82338 |
|---|---|
| CAS | 10075-85-1 |
| Molecular Weight (g/mol) | 378.474 |
| ChEBI | CHEBI:51675 |
| MDL Number | MFCD00012050 |
| SMILES | C1=CC=C(C=C1)C#CC2=C3C=CC=CC3=C(C4=CC=CC=C42)C#CC5=CC=CC=C5 |
| Synonym | 9,10-bis phenylethynyl anthracene,9,10-bis 2-phenylethynyl anthracene,anthracene, 9,10-bis phenylethynyl,bpea,anthracene, 9,10-bis 2-phenylethynyl,bis phcc-anthracene,unii-fc8jdb70dq,9,10-bis phenylvinyl anthracene,fc8jdb70dq,9,10-bis-phenylethynyl anthracene |
| IUPAC Name | 9,10-bis(2-phenylethynyl)anthracene |
| InChI Key | ZHBOFZNNPZNWGB-UHFFFAOYSA-N |
| Molecular Formula | C30H18 |
2-Fluoro-5-methylaniline 98.0+%, TCI America™
CAS: 452-84-6 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.15 MDL Number: MFCD00007654 InChI Key: QZUXMXZNVAJNSE-UHFFFAOYSA-N Synonym: 3-amino-4-fluorotoluene,6-fluoro-m-toluidine,2-fluoro-5-methylphenylamine,2-fluoro-5-methylbenzenamine,benzenamine, 2-fluoro-5-methyl,2-fluoro-5-methylbenzeneamine,2-fluoro-5-methyl-aniline,pubchem1507,2-fluoro-5-metylaniline,acmc-209k1v PubChem CID: 262970 IUPAC Name: 2-fluoro-5-methylaniline SMILES: CC1=CC=C(F)C(N)=C1
| PubChem CID | 262970 |
|---|---|
| CAS | 452-84-6 |
| Molecular Weight (g/mol) | 125.15 |
| MDL Number | MFCD00007654 |
| SMILES | CC1=CC=C(F)C(N)=C1 |
| Synonym | 3-amino-4-fluorotoluene,6-fluoro-m-toluidine,2-fluoro-5-methylphenylamine,2-fluoro-5-methylbenzenamine,benzenamine, 2-fluoro-5-methyl,2-fluoro-5-methylbenzeneamine,2-fluoro-5-methyl-aniline,pubchem1507,2-fluoro-5-metylaniline,acmc-209k1v |
| IUPAC Name | 2-fluoro-5-methylaniline |
| InChI Key | QZUXMXZNVAJNSE-UHFFFAOYSA-N |
| Molecular Formula | C7H8FN |
Hippuric Acid 98.0+%, TCI America™
CAS: 495-69-2 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.18 MDL Number: MFCD00002692 InChI Key: QIAFMBKCNZACKA-UHFFFAOYSA-N Synonym: hippuric acid,n-benzoylglycine,glycine, n-benzoyl,benzoylglycine,benzamidoacetic acid,benzoylaminoacetic acid,hippurate,hippursaeure,phenylcarbonylaminoacetic acid,benzamidoessigsaeure PubChem CID: 464 ChEBI: CHEBI:18089 IUPAC Name: 2-(phenylformamido)acetic acid SMILES: OC(=O)CNC(=O)C1=CC=CC=C1
| PubChem CID | 464 |
|---|---|
| CAS | 495-69-2 |
| Molecular Weight (g/mol) | 179.18 |
| ChEBI | CHEBI:18089 |
| MDL Number | MFCD00002692 |
| SMILES | OC(=O)CNC(=O)C1=CC=CC=C1 |
| Synonym | hippuric acid,n-benzoylglycine,glycine, n-benzoyl,benzoylglycine,benzamidoacetic acid,benzoylaminoacetic acid,hippurate,hippursaeure,phenylcarbonylaminoacetic acid,benzamidoessigsaeure |
| IUPAC Name | 2-(phenylformamido)acetic acid |
| InChI Key | QIAFMBKCNZACKA-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO3 |
Cyclopropyltriphenylphosphonium Bromide 97.0+%, TCI America™
CAS: 14114-05-7 Molecular Formula: C21H20BrP Molecular Weight (g/mol): 383.27 MDL Number: MFCD00011872 InChI Key: XMPWFKHMCNRJCL-UHFFFAOYSA-M Synonym: cyclopropyltriphenylphosphonium bromide,phosphonium, cyclopropyltriphenyl-, bromide,cyclopropyltriphenylphosphanium bromide,cyclopropyl triphenyl phosphanium bromide,acmc-209cls,cyclopropyltriphenylphosphoniumbromide,cyclopropyl triphenylphosphonium bromide,cyclopropyl-triphenylphosphonium bromide,cyclopropyltriphenyl-phosphonium bromide,triphenyl-cyclopropylphosphonium bromide PubChem CID: 2723931 IUPAC Name: cyclopropyltriphenylphosphanium bromide SMILES: [Br-].C1CC1[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2723931 |
|---|---|
| CAS | 14114-05-7 |
| Molecular Weight (g/mol) | 383.27 |
| MDL Number | MFCD00011872 |
| SMILES | [Br-].C1CC1[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | cyclopropyltriphenylphosphonium bromide,phosphonium, cyclopropyltriphenyl-, bromide,cyclopropyltriphenylphosphanium bromide,cyclopropyl triphenyl phosphanium bromide,acmc-209cls,cyclopropyltriphenylphosphoniumbromide,cyclopropyl triphenylphosphonium bromide,cyclopropyl-triphenylphosphonium bromide,cyclopropyltriphenyl-phosphonium bromide,triphenyl-cyclopropylphosphonium bromide |
| IUPAC Name | cyclopropyltriphenylphosphanium bromide |
| InChI Key | XMPWFKHMCNRJCL-UHFFFAOYSA-M |
| Molecular Formula | C21H20BrP |
4-(4-Dimethylaminostyryl)quinoline 96.0+%, TCI America™
CAS: 897-55-2 Molecular Formula: C19H18N2 Molecular Weight (g/mol): 274.367 MDL Number: MFCD00191349 InChI Key: CIXDQQGMRYRUQA-YFHOEESVSA-N PubChem CID: 1550830 IUPAC Name: N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline SMILES: CN(C)C1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23
| PubChem CID | 1550830 |
|---|---|
| CAS | 897-55-2 |
| Molecular Weight (g/mol) | 274.367 |
| MDL Number | MFCD00191349 |
| SMILES | CN(C)C1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23 |
| IUPAC Name | N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline |
| InChI Key | CIXDQQGMRYRUQA-YFHOEESVSA-N |
| Molecular Formula | C19H18N2 |
1,2,3,5-Tetrafluorobenzene 98.0+%, TCI America™
CAS: 2367-82-0 Molecular Formula: C6H2F4 Molecular Weight (g/mol): 150.076 MDL Number: MFCD00000302 InChI Key: UHHYOKRQTQBKSB-UHFFFAOYSA-N Synonym: benzene, 1,2,3,5-tetrafluoro,unii-bv201pz5tv,bv201pz5tv,1,2,3,5 tetrafluorobenzene,pubchem1062,acmc-1carr,intermediates-zcf02631,1,2,4,6-tetrafluorobenzene,1,3,4,5-tetrafluorobenzene,1,2,3,5,-tetrafluorobenzene PubChem CID: 16910 IUPAC Name: 1,2,3,5-tetrafluorobenzene SMILES: C1=C(C=C(C(=C1F)F)F)F
| PubChem CID | 16910 |
|---|---|
| CAS | 2367-82-0 |
| Molecular Weight (g/mol) | 150.076 |
| MDL Number | MFCD00000302 |
| SMILES | C1=C(C=C(C(=C1F)F)F)F |
| Synonym | benzene, 1,2,3,5-tetrafluoro,unii-bv201pz5tv,bv201pz5tv,1,2,3,5 tetrafluorobenzene,pubchem1062,acmc-1carr,intermediates-zcf02631,1,2,4,6-tetrafluorobenzene,1,3,4,5-tetrafluorobenzene,1,2,3,5,-tetrafluorobenzene |
| IUPAC Name | 1,2,3,5-tetrafluorobenzene |
| InChI Key | UHHYOKRQTQBKSB-UHFFFAOYSA-N |
| Molecular Formula | C6H2F4 |
2,3,4-Trifluorobenzonitrile 98.0+%, TCI America™
CAS: 143879-80-5 Molecular Formula: C7H2F3N Molecular Weight (g/mol): 157.10 MDL Number: MFCD00013288 InChI Key: KTPHYLJFAZNALV-UHFFFAOYSA-N Synonym: 2,3,4-difluorobenzonitrile,benzonitrile, trifluoro,2,3,4-trifluorobenzenecarbonitrile,trifluorobenzonitrile,pubchem1572,acmc-209cri,ksc494g9l,2,3,4-trifluoro benzonitrile,2,3,4-trifluoro-benzonitrile,benzonitrile, 2,3,4-trifluoro PubChem CID: 518936 IUPAC Name: 2,3,4-trifluorobenzonitrile SMILES: FC1=CC=C(C#N)C(F)=C1F
| PubChem CID | 518936 |
|---|---|
| CAS | 143879-80-5 |
| Molecular Weight (g/mol) | 157.10 |
| MDL Number | MFCD00013288 |
| SMILES | FC1=CC=C(C#N)C(F)=C1F |
| Synonym | 2,3,4-difluorobenzonitrile,benzonitrile, trifluoro,2,3,4-trifluorobenzenecarbonitrile,trifluorobenzonitrile,pubchem1572,acmc-209cri,ksc494g9l,2,3,4-trifluoro benzonitrile,2,3,4-trifluoro-benzonitrile,benzonitrile, 2,3,4-trifluoro |
| IUPAC Name | 2,3,4-trifluorobenzonitrile |
| InChI Key | KTPHYLJFAZNALV-UHFFFAOYSA-N |
| Molecular Formula | C7H2F3N |
4-Fluoro-1,2-dimethoxybenzene 97.0+%, TCI America™
CAS: 398-62-9 Molecular Formula: C8H9FO2 Molecular Weight (g/mol): 156.156 MDL Number: MFCD00012201 InChI Key: DAGKHJDZYJFWSO-UHFFFAOYSA-N Synonym: 4-fluoroveratrole,1,2-dimethoxy-4-fluorobenzene,3,4-dimethoxyfluorobenzene,1-fluoro-3,4-dimethoxybenzene,4-fluoro-1,2-dimethoxy-benzene,3,4-dimethoxy-1-fluorobenzene,4-fluoroveratrol,pubchem3048,acmc-1acnf,fluorobenzene, 3,4-methoxy PubChem CID: 593640 IUPAC Name: 4-fluoro-1,2-dimethoxybenzene SMILES: COC1=C(C=C(C=C1)F)OC
| PubChem CID | 593640 |
|---|---|
| CAS | 398-62-9 |
| Molecular Weight (g/mol) | 156.156 |
| MDL Number | MFCD00012201 |
| SMILES | COC1=C(C=C(C=C1)F)OC |
| Synonym | 4-fluoroveratrole,1,2-dimethoxy-4-fluorobenzene,3,4-dimethoxyfluorobenzene,1-fluoro-3,4-dimethoxybenzene,4-fluoro-1,2-dimethoxy-benzene,3,4-dimethoxy-1-fluorobenzene,4-fluoroveratrol,pubchem3048,acmc-1acnf,fluorobenzene, 3,4-methoxy |
| IUPAC Name | 4-fluoro-1,2-dimethoxybenzene |
| InChI Key | DAGKHJDZYJFWSO-UHFFFAOYSA-N |
| Molecular Formula | C8H9FO2 |
4-Cyano-4'-heptyloxybiphenyl 98.0+%, TCI America™
CAS: 52364-72-4 Molecular Formula: C20H23NO Molecular Weight (g/mol): 293.41 MDL Number: MFCD00134146 InChI Key: JPBFKTCKZLMJED-UHFFFAOYSA-N Synonym: 4'-heptyloxy-4-cyanobiphenyl,4-cyano-4'-heptyloxybiphenyl,4'-heptyloxy-1,1'-biphenyl-4-carbonitrile,4'-heptyloxy biphenyl-4-carbonitrile,7cob,1,1'-biphenyl-4-carbonitrile, 4'-heptyloxy,4-heptyloxycyanodiphenyl,4-cyano-4'-heptoxybiphenyl,4-4-heptoxyphenyl benzonitrile,4-4-heptyloxyphenyl benzonitrile PubChem CID: 104172 IUPAC Name: 4-(4-heptoxyphenyl)benzonitrile SMILES: CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
| PubChem CID | 104172 |
|---|---|
| CAS | 52364-72-4 |
| Molecular Weight (g/mol) | 293.41 |
| MDL Number | MFCD00134146 |
| SMILES | CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| Synonym | 4'-heptyloxy-4-cyanobiphenyl,4-cyano-4'-heptyloxybiphenyl,4'-heptyloxy-1,1'-biphenyl-4-carbonitrile,4'-heptyloxy biphenyl-4-carbonitrile,7cob,1,1'-biphenyl-4-carbonitrile, 4'-heptyloxy,4-heptyloxycyanodiphenyl,4-cyano-4'-heptoxybiphenyl,4-4-heptoxyphenyl benzonitrile,4-4-heptyloxyphenyl benzonitrile |
| IUPAC Name | 4-(4-heptoxyphenyl)benzonitrile |
| InChI Key | JPBFKTCKZLMJED-UHFFFAOYSA-N |
| Molecular Formula | C20H23NO |
3-Fluoro-4-methoxybenzonitrile 98.0+%, TCI America™
CAS: 331-62-4 Molecular Formula: C8H6FNO Molecular Weight (g/mol): 151.14 MDL Number: MFCD00215835 InChI Key: FEEOVAOEPGQDTJ-UHFFFAOYSA-N Synonym: 2-fluoro-4-cyanoanisole,4-cyano-2-fluoroanisole,3-fluoro-4-methoxy-benzonitrile,benzonitrile, 3-fluoro-4-methoxy,3-fluoro-4-methoxybenzenecarbonitrile,pubchem18462,acmc-209hys,3-fluoro-4-methoxybenzonitile,3-fluoro-4-methoxy benzonitrile,4-methoxy-3-fluoro benzonitrile PubChem CID: 2774548 IUPAC Name: 3-fluoro-4-methoxybenzonitrile SMILES: COC1=CC=C(C=C1F)C#N
| PubChem CID | 2774548 |
|---|---|
| CAS | 331-62-4 |
| Molecular Weight (g/mol) | 151.14 |
| MDL Number | MFCD00215835 |
| SMILES | COC1=CC=C(C=C1F)C#N |
| Synonym | 2-fluoro-4-cyanoanisole,4-cyano-2-fluoroanisole,3-fluoro-4-methoxy-benzonitrile,benzonitrile, 3-fluoro-4-methoxy,3-fluoro-4-methoxybenzenecarbonitrile,pubchem18462,acmc-209hys,3-fluoro-4-methoxybenzonitile,3-fluoro-4-methoxy benzonitrile,4-methoxy-3-fluoro benzonitrile |
| IUPAC Name | 3-fluoro-4-methoxybenzonitrile |
| InChI Key | FEEOVAOEPGQDTJ-UHFFFAOYSA-N |
| Molecular Formula | C8H6FNO |
2-Isopropenyltoluene (stabilized with BHT) 98.0+%, TCI America™
CAS: 7399-49-7 Molecular Formula: C10H12 Molecular Weight (g/mol): 132.206 MDL Number: MFCD00049092 InChI Key: OGMSGZZPTQNTIK-UHFFFAOYSA-N PubChem CID: 81886 IUPAC Name: 1-methyl-2-prop-1-en-2-ylbenzene SMILES: CC1=CC=CC=C1C(=C)C
| PubChem CID | 81886 |
|---|---|
| CAS | 7399-49-7 |
| Molecular Weight (g/mol) | 132.206 |
| MDL Number | MFCD00049092 |
| SMILES | CC1=CC=CC=C1C(=C)C |
| IUPAC Name | 1-methyl-2-prop-1-en-2-ylbenzene |
| InChI Key | OGMSGZZPTQNTIK-UHFFFAOYSA-N |
| Molecular Formula | C10H12 |
[RuCl(p-cymene)((R)-binap)]Cl 90.0+%, TCI America™
CAS: 145926-28-9 Molecular Formula: C54H46Cl2P2Ru+ Molecular Weight (g/mol): 928.88 MDL Number: MFCD00134456 InChI Key: MMAGOHNRINMYDK-UHFFFAOYSA-L Synonym: rucl p-cymene r-binap cl,r-+-2,2-bis diphenylphosphino-1,1-binaphthalenechloro p-cymene ruthenium chloride,chloro r-+-2,2'-bis diphenylphosphino-1,1'-binaphthyl p-cymene ruthenium ii chloride,r-binap rucl p-cymene cl,chloro r-+-2,2?-bis diphenylphosphino-1,1?-binaphthyl p-cymene ruthenium ii chloride PubChem CID: 91972169 IUPAC Name: [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;1-methyl-4-propan-2-ylbenzene;ruthenium(3+);dichloride SMILES: CC1=CC=C(C=C1)C(C)C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.[Cl-].[Cl-].[Ru+3]
| PubChem CID | 91972169 |
|---|---|
| CAS | 145926-28-9 |
| Molecular Weight (g/mol) | 928.88 |
| MDL Number | MFCD00134456 |
| SMILES | CC1=CC=C(C=C1)C(C)C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.[Cl-].[Cl-].[Ru+3] |
| Synonym | rucl p-cymene r-binap cl,r-+-2,2-bis diphenylphosphino-1,1-binaphthalenechloro p-cymene ruthenium chloride,chloro r-+-2,2'-bis diphenylphosphino-1,1'-binaphthyl p-cymene ruthenium ii chloride,r-binap rucl p-cymene cl,chloro r-+-2,2?-bis diphenylphosphino-1,1?-binaphthyl p-cymene ruthenium ii chloride |
| IUPAC Name | [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;1-methyl-4-propan-2-ylbenzene;ruthenium(3+);dichloride |
| InChI Key | MMAGOHNRINMYDK-UHFFFAOYSA-L |
| Molecular Formula | C54H46Cl2P2Ru+ |
4-Benzyloxy-1,3-butanediol 97.0+%, TCI America™
CAS: 71998-70-4 Molecular Formula: C11H16O3 Molecular Weight (g/mol): 196.246 InChI Key: ZVVBUAFZGGHYAO-UHFFFAOYSA-N PubChem CID: 13181679 IUPAC Name: 4-phenylmethoxybutane-1,3-diol SMILES: C1=CC=C(C=C1)COCC(CCO)O
| PubChem CID | 13181679 |
|---|---|
| CAS | 71998-70-4 |
| Molecular Weight (g/mol) | 196.246 |
| SMILES | C1=CC=C(C=C1)COCC(CCO)O |
| IUPAC Name | 4-phenylmethoxybutane-1,3-diol |
| InChI Key | ZVVBUAFZGGHYAO-UHFFFAOYSA-N |
| Molecular Formula | C11H16O3 |