Benzenoids
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4,4,5,5-Tetramethyl-2-(3-perylenyl)-1,3,2-dioxaborolane 97.0+%, TCI America™
CAS: 950761-81-6 Molecular Formula: C26H23BO2 Molecular Weight (g/mol): 378.278 InChI Key: RKJWQQVQQVALBZ-UHFFFAOYSA-N Synonym: (3-Perylenyl)boronic Acid Pinacol Ester, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)perylene PubChem CID: 24751681 IUPAC Name: 4,4,5,5-tetramethyl-2-perylen-3-yl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC=C4C3=C(C=C2)C5=CC=CC6=C5C4=CC=C6
| PubChem CID | 24751681 |
|---|---|
| CAS | 950761-81-6 |
| Molecular Weight (g/mol) | 378.278 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC=C4C3=C(C=C2)C5=CC=CC6=C5C4=CC=C6 |
| Synonym | (3-Perylenyl)boronic Acid Pinacol Ester, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)perylene |
| IUPAC Name | 4,4,5,5-tetramethyl-2-perylen-3-yl-1,3,2-dioxaborolane |
| InChI Key | RKJWQQVQQVALBZ-UHFFFAOYSA-N |
| Molecular Formula | C26H23BO2 |
Ethyl Abietate 80.0+%, TCI America™
CAS: 631-71-0 Molecular Formula: C22H34O2 Molecular Weight (g/mol): 330.51 MDL Number: MFCD00028860 InChI Key: AGUBCDYYAKENKG-YVNJGZBMSA-N Synonym: Abietic Acid Ethyl Ester, Ethyl Rosinate, Rosin Acid Ethyl Ester PubChem CID: 53642177 IUPAC Name: ethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate SMILES: CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C
| PubChem CID | 53642177 |
|---|---|
| CAS | 631-71-0 |
| Molecular Weight (g/mol) | 330.51 |
| MDL Number | MFCD00028860 |
| SMILES | CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C |
| Synonym | Abietic Acid Ethyl Ester, Ethyl Rosinate, Rosin Acid Ethyl Ester |
| IUPAC Name | ethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate |
| InChI Key | AGUBCDYYAKENKG-YVNJGZBMSA-N |
| Molecular Formula | C22H34O2 |
4-(4-Methoxyphenyl)butyric Acid 95.0+%, TCI America™
CAS: 4521-28-2 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00004404 InChI Key: LZHMNCJMXQKSBY-UHFFFAOYSA-N Synonym: 4-4-methoxyphenyl butyric acid,4-4-methoxyphenyl butanoic acid,benzenebutanoic acid, 4-methoxy,4-4-methoxyphenyl butyricacid,4-4-methoxyphenyl-1-butyric acid,p-methoxy-g-phenylbutyric acid,pubchem15207,4-methoxybenzenebutyric acid,4-p-methoxyphenylbutyric acid PubChem CID: 78280 IUPAC Name: 4-(4-methoxyphenyl)butanoic acid SMILES: COC1=CC=C(C=C1)CCCC(=O)O
| PubChem CID | 78280 |
|---|---|
| CAS | 4521-28-2 |
| Molecular Weight (g/mol) | 194.23 |
| MDL Number | MFCD00004404 |
| SMILES | COC1=CC=C(C=C1)CCCC(=O)O |
| Synonym | 4-4-methoxyphenyl butyric acid,4-4-methoxyphenyl butanoic acid,benzenebutanoic acid, 4-methoxy,4-4-methoxyphenyl butyricacid,4-4-methoxyphenyl-1-butyric acid,p-methoxy-g-phenylbutyric acid,pubchem15207,4-methoxybenzenebutyric acid,4-p-methoxyphenylbutyric acid |
| IUPAC Name | 4-(4-methoxyphenyl)butanoic acid |
| InChI Key | LZHMNCJMXQKSBY-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |
1-Naphthalenesulfonyl Chloride 98.0+%, TCI America™
CAS: 85-46-1 Molecular Formula: C10H7ClO2S Molecular Weight (g/mol): 226.674 MDL Number: MFCD00003984 InChI Key: DASJFYAPNPUBGG-UHFFFAOYSA-N Synonym: 1-naphthalenesulfonyl chloride,1-naphthylsulfonyl chloride,naphthalene-1-sulphonyl chloride,alpha-naphthalenesulfonyl chloride,naphthalenesulfonyl chloride,1-naphthalenesulfonylchloride,1-naphthalenesulfonyl chlorine,.alpha.-naphthalenesulfochloride,chloronaphthylsulfone,.alpha.-naphthalenesulfonyl chloride PubChem CID: 66560 IUPAC Name: naphthalene-1-sulfonyl chloride SMILES: C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)Cl
| PubChem CID | 66560 |
|---|---|
| CAS | 85-46-1 |
| Molecular Weight (g/mol) | 226.674 |
| MDL Number | MFCD00003984 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)Cl |
| Synonym | 1-naphthalenesulfonyl chloride,1-naphthylsulfonyl chloride,naphthalene-1-sulphonyl chloride,alpha-naphthalenesulfonyl chloride,naphthalenesulfonyl chloride,1-naphthalenesulfonylchloride,1-naphthalenesulfonyl chlorine,.alpha.-naphthalenesulfochloride,chloronaphthylsulfone,.alpha.-naphthalenesulfonyl chloride |
| IUPAC Name | naphthalene-1-sulfonyl chloride |
| InChI Key | DASJFYAPNPUBGG-UHFFFAOYSA-N |
| Molecular Formula | C10H7ClO2S |
Pentachlorothioanisole 98.0+%, TCI America™
CAS: 1825-19-0 Molecular Formula: C7H3Cl5S Molecular Weight (g/mol): 296.41 MDL Number: MFCD00013622 InChI Key: LGZZJTIUEJNNKV-UHFFFAOYSA-N Synonym: Methyl Pentachlorophenyl Sulfide, 1,2,3,5,6-Pentachloro-4-(methylthio)benzene PubChem CID: 15766 IUPAC Name: 1,2,3,4,5-pentachloro-6-(methylsulfanyl)benzene SMILES: CSC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl
| PubChem CID | 15766 |
|---|---|
| CAS | 1825-19-0 |
| Molecular Weight (g/mol) | 296.41 |
| MDL Number | MFCD00013622 |
| SMILES | CSC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl |
| Synonym | Methyl Pentachlorophenyl Sulfide, 1,2,3,5,6-Pentachloro-4-(methylthio)benzene |
| IUPAC Name | 1,2,3,4,5-pentachloro-6-(methylsulfanyl)benzene |
| InChI Key | LGZZJTIUEJNNKV-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl5S |
2,5-Diphenyl-3-(4-styrylphenyl)tetrazolium Chloride 96.0+%, TCI America™
CAS: 24387-36-8 Molecular Formula: C27H21ClN4 Molecular Weight (g/mol): 436.94 MDL Number: MFCD00050315 InChI Key: PAKWFHYWNFCRCK-CMBBICFISA-M PubChem CID: 9932775 IUPAC Name: 3,5-diphenyl-2-{4-[(1E)-2-phenylethenyl]phenyl}-3H-1,2λ⁵,3,4-tetrazol-2-ylium chloride SMILES: [Cl-].C(=C/C1=CC=C(C=C1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1)\C1=CC=CC=C1
| PubChem CID | 9932775 |
|---|---|
| CAS | 24387-36-8 |
| Molecular Weight (g/mol) | 436.94 |
| MDL Number | MFCD00050315 |
| SMILES | [Cl-].C(=C/C1=CC=C(C=C1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1)\C1=CC=CC=C1 |
| IUPAC Name | 3,5-diphenyl-2-{4-[(1E)-2-phenylethenyl]phenyl}-3H-1,2λ⁵,3,4-tetrazol-2-ylium chloride |
| InChI Key | PAKWFHYWNFCRCK-CMBBICFISA-M |
| Molecular Formula | C27H21ClN4 |
2-(3,5-Dibromophenyl)-4,6-diphenyl-1,3,5-triazine 98.0+%, TCI America™
CAS: 1073062-59-5 Molecular Formula: C21H13Br2N3 Molecular Weight (g/mol): 467.164 MDL Number: MFCD25562933 InChI Key: DRQMSTXYCLCAHO-UHFFFAOYSA-N PubChem CID: 58382615 IUPAC Name: 2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine SMILES: C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC(=C3)Br)Br)C4=CC=CC=C4
| PubChem CID | 58382615 |
|---|---|
| CAS | 1073062-59-5 |
| Molecular Weight (g/mol) | 467.164 |
| MDL Number | MFCD25562933 |
| SMILES | C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC(=C3)Br)Br)C4=CC=CC=C4 |
| IUPAC Name | 2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine |
| InChI Key | DRQMSTXYCLCAHO-UHFFFAOYSA-N |
| Molecular Formula | C21H13Br2N3 |
3,5-Dimethylphenol 98.0+%, TCI America™
CAS: 108-68-9 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00002307 InChI Key: TUAMRELNJMMDMT-UHFFFAOYSA-N Synonym: 3,5-xylenol,sym-m-xylenol,phenol, 3,5-dimethyl,1,3,5-xylenol,3,5-dmp,1-hydroxy-3,5-dimethylbenzene,3,5-dimethyl phenol,5-hydroxy-m-xylene,xylenol 200,unii-ona760g0wa PubChem CID: 7948 ChEBI: CHEBI:38572 IUPAC Name: 3,5-dimethylphenol SMILES: CC1=CC(O)=CC(C)=C1
| PubChem CID | 7948 |
|---|---|
| CAS | 108-68-9 |
| Molecular Weight (g/mol) | 122.17 |
| ChEBI | CHEBI:38572 |
| MDL Number | MFCD00002307 |
| SMILES | CC1=CC(O)=CC(C)=C1 |
| Synonym | 3,5-xylenol,sym-m-xylenol,phenol, 3,5-dimethyl,1,3,5-xylenol,3,5-dmp,1-hydroxy-3,5-dimethylbenzene,3,5-dimethyl phenol,5-hydroxy-m-xylene,xylenol 200,unii-ona760g0wa |
| IUPAC Name | 3,5-dimethylphenol |
| InChI Key | TUAMRELNJMMDMT-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
2,4-Difluorophenylacetic Acid 98.0+%, TCI America™
CAS: 81228-09-3 Molecular Formula: C8H5F2O2 Molecular Weight (g/mol): 171.12 MDL Number: MFCD00009999 InChI Key: QPKZIGHNRLZBCL-UHFFFAOYSA-M Synonym: 2,4-difluorophenylacetic acid,2-2,4-difluorophenyl acetic acid,benzeneacetic acid, 2,4-difluoro,2,4-difluorophenyl acetic acid,2,4-ddifluorophenylacetic acid,rarechem al bo 0247,2,4-difluoro-phenyl-acetic acid,2,4-difluorobenzeneacetic acid,2,4-difluorophenylaceticacid PubChem CID: 123581 IUPAC Name: 2-(2,4-difluorophenyl)acetate SMILES: [O-]C(=O)CC1=CC=C(F)C=C1F
| PubChem CID | 123581 |
|---|---|
| CAS | 81228-09-3 |
| Molecular Weight (g/mol) | 171.12 |
| MDL Number | MFCD00009999 |
| SMILES | [O-]C(=O)CC1=CC=C(F)C=C1F |
| Synonym | 2,4-difluorophenylacetic acid,2-2,4-difluorophenyl acetic acid,benzeneacetic acid, 2,4-difluoro,2,4-difluorophenyl acetic acid,2,4-ddifluorophenylacetic acid,rarechem al bo 0247,2,4-difluoro-phenyl-acetic acid,2,4-difluorobenzeneacetic acid,2,4-difluorophenylaceticacid |
| IUPAC Name | 2-(2,4-difluorophenyl)acetate |
| InChI Key | QPKZIGHNRLZBCL-UHFFFAOYSA-M |
| Molecular Formula | C8H5F2O2 |
4-(Dimethylamino)benzenethiol 98.0+%, TCI America™
CAS: 4946-22-9 Molecular Formula: C8H11NS Molecular Weight (g/mol): 153.243 MDL Number: MFCD01658123 InChI Key: PQSBRHXGVPVYFJ-UHFFFAOYSA-N Synonym: 4-(Dimethylamino)thiophenol, 4-Mercapto-N,N-dimethylaniline PubChem CID: 21061 IUPAC Name: 4-(dimethylamino)benzenethiol SMILES: CN(C)C1=CC=C(C=C1)S
| PubChem CID | 21061 |
|---|---|
| CAS | 4946-22-9 |
| Molecular Weight (g/mol) | 153.243 |
| MDL Number | MFCD01658123 |
| SMILES | CN(C)C1=CC=C(C=C1)S |
| Synonym | 4-(Dimethylamino)thiophenol, 4-Mercapto-N,N-dimethylaniline |
| IUPAC Name | 4-(dimethylamino)benzenethiol |
| InChI Key | PQSBRHXGVPVYFJ-UHFFFAOYSA-N |
| Molecular Formula | C8H11NS |
4-Amino-3-fluorobenzonitrile 98.0+%, TCI America™
CAS: 63069-50-1 Molecular Formula: C7H5FN2 Molecular Weight (g/mol): 136.129 MDL Number: MFCD00055559 InChI Key: RLMBRRQWBTWGMB-UHFFFAOYSA-N Synonym: 3-fluoro-4-aminobenzonitrile,4-cyano-2-fluoroaniline,benzonitrile, 4-amino-3-fluoro,4-amino-3-fluorobenzenecarbonitrile,4-amino-3-fluoro-benzonitrile,pubchem4638,4-cyano-2-fluoro-aniline,acmc-1bc36,ksc494c4h,3-fluoro-4-aminobenzonitrile;4-amino-3-fluorobenzonitrile PubChem CID: 2756431 IUPAC Name: 4-amino-3-fluorobenzonitrile SMILES: C1=CC(=C(C=C1C#N)F)N
| PubChem CID | 2756431 |
|---|---|
| CAS | 63069-50-1 |
| Molecular Weight (g/mol) | 136.129 |
| MDL Number | MFCD00055559 |
| SMILES | C1=CC(=C(C=C1C#N)F)N |
| Synonym | 3-fluoro-4-aminobenzonitrile,4-cyano-2-fluoroaniline,benzonitrile, 4-amino-3-fluoro,4-amino-3-fluorobenzenecarbonitrile,4-amino-3-fluoro-benzonitrile,pubchem4638,4-cyano-2-fluoro-aniline,acmc-1bc36,ksc494c4h,3-fluoro-4-aminobenzonitrile;4-amino-3-fluorobenzonitrile |
| IUPAC Name | 4-amino-3-fluorobenzonitrile |
| InChI Key | RLMBRRQWBTWGMB-UHFFFAOYSA-N |
| Molecular Formula | C7H5FN2 |
O-(4-Nitrobenzoyl)hydroxylamine 97.0+%, TCI America™
CAS: 35657-36-4 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.14 MDL Number: MFCD11976095 InChI Key: VTKRSTQMGNRMHL-UHFFFAOYSA-N PubChem CID: 426419 IUPAC Name: amino 4-nitrobenzoate SMILES: NOC(=O)C1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 426419 |
|---|---|
| CAS | 35657-36-4 |
| Molecular Weight (g/mol) | 182.14 |
| MDL Number | MFCD11976095 |
| SMILES | NOC(=O)C1=CC=C(C=C1)[N+]([O-])=O |
| IUPAC Name | amino 4-nitrobenzoate |
| InChI Key | VTKRSTQMGNRMHL-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2O4 |
5-Methoxy-2-nitroaniline 98.0+%, TCI America™
CAS: 16133-49-6 Molecular Formula: C7H8N2O3 Molecular Weight (g/mol): 168.152 MDL Number: MFCD00179573 InChI Key: QEHVRGACCVLLNN-UHFFFAOYSA-N Synonym: 5-methoxy-2-nitrophenylamine,3-amino-4-nitroanisole,5methoxy-2-nitroaniline,5-methoxy-2-nitrobenzenamine,3-amino-4-nitro-anisol,2-nitro-5-methoxyaniline,5-methoxy-2-nitro-aniline,benzenamine, 5-methoxy-2-nitro,benzenamine,5-methoxy-2-nitro,5-methoxy-2-nitro-phenylamine PubChem CID: 85300 IUPAC Name: 5-methoxy-2-nitroaniline SMILES: COC1=CC(=C(C=C1)[N+](=O)[O-])N
| PubChem CID | 85300 |
|---|---|
| CAS | 16133-49-6 |
| Molecular Weight (g/mol) | 168.152 |
| MDL Number | MFCD00179573 |
| SMILES | COC1=CC(=C(C=C1)[N+](=O)[O-])N |
| Synonym | 5-methoxy-2-nitrophenylamine,3-amino-4-nitroanisole,5methoxy-2-nitroaniline,5-methoxy-2-nitrobenzenamine,3-amino-4-nitro-anisol,2-nitro-5-methoxyaniline,5-methoxy-2-nitro-aniline,benzenamine, 5-methoxy-2-nitro,benzenamine,5-methoxy-2-nitro,5-methoxy-2-nitro-phenylamine |
| IUPAC Name | 5-methoxy-2-nitroaniline |
| InChI Key | QEHVRGACCVLLNN-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O3 |
4-Bromo-2,6-di-tert-butylphenol 98.0+%, TCI America™
CAS: 1139-52-2 Molecular Formula: C14H21BrO Molecular Weight (g/mol): 285.225 MDL Number: MFCD00051598 InChI Key: SSQQUEKFNSJLKX-UHFFFAOYSA-N Synonym: 4-bromo-2,6-di-tert-butylphenol,2,6-di-tert-butyl-4-bromophenol,4-bromo-2,6-di-t-butylphenol,phenol, 4-bromo-2,6-bis 1,1-dimethylethyl,2,6-bis tert-butyl-4-bromophenol,4-bromo-2,6-di tert-butyl phenol,4-bromo-2,6-di-tert-butyl phenol,4-bromo-2,6-bis 1,1-dimethylethyl phenol,phenol, 4-bromo-2,6-di-tert-butyl,acmc-1c5t6 PubChem CID: 70829 IUPAC Name: 4-bromo-2,6-ditert-butylphenol SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)Br
| PubChem CID | 70829 |
|---|---|
| CAS | 1139-52-2 |
| Molecular Weight (g/mol) | 285.225 |
| MDL Number | MFCD00051598 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)Br |
| Synonym | 4-bromo-2,6-di-tert-butylphenol,2,6-di-tert-butyl-4-bromophenol,4-bromo-2,6-di-t-butylphenol,phenol, 4-bromo-2,6-bis 1,1-dimethylethyl,2,6-bis tert-butyl-4-bromophenol,4-bromo-2,6-di tert-butyl phenol,4-bromo-2,6-di-tert-butyl phenol,4-bromo-2,6-bis 1,1-dimethylethyl phenol,phenol, 4-bromo-2,6-di-tert-butyl,acmc-1c5t6 |
| IUPAC Name | 4-bromo-2,6-ditert-butylphenol |
| InChI Key | SSQQUEKFNSJLKX-UHFFFAOYSA-N |
| Molecular Formula | C14H21BrO |