Benzenoids
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(-)-2,2'-Methylenebis[(3aS,8aR)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole] 98.0+%, TCI America™
CAS: 175166-49-1 Molecular Formula: C21H18N2O2 Molecular Weight (g/mol): 330.387 MDL Number: MFCD00799561 InChI Key: BDHSVQLSNIGJNC-JYWFKMLOSA-N PubChem CID: 11024010 IUPAC Name: (3aR,8bS)-2-[[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]methyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole SMILES: C1C2C(C3=CC=CC=C31)N=C(O2)CC4=NC5C(O4)CC6=CC=CC=C56
| PubChem CID | 11024010 |
|---|---|
| CAS | 175166-49-1 |
| Molecular Weight (g/mol) | 330.387 |
| MDL Number | MFCD00799561 |
| SMILES | C1C2C(C3=CC=CC=C31)N=C(O2)CC4=NC5C(O4)CC6=CC=CC=C56 |
| IUPAC Name | (3aR,8bS)-2-[[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]methyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole |
| InChI Key | BDHSVQLSNIGJNC-JYWFKMLOSA-N |
| Molecular Formula | C21H18N2O2 |
4-Bromo-1,1,3,3,5,5,7,7-octaethyl-1,2,3,5,6,7-hexahydro-s-indacene 95.0+%, TCI America™
CAS: 960079-28-1 Molecular Formula: C28H45Br Molecular Weight (g/mol): 461.572 InChI Key: SNWPVKQFJCNSIU-UHFFFAOYSA-N Synonym: Eind-Br PubChem CID: 91972074 IUPAC Name: 4-bromo-1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacene SMILES: CCC1(CC(C2=C(C3=C(C=C21)C(CC3(CC)CC)(CC)CC)Br)(CC)CC)CC
| PubChem CID | 91972074 |
|---|---|
| CAS | 960079-28-1 |
| Molecular Weight (g/mol) | 461.572 |
| SMILES | CCC1(CC(C2=C(C3=C(C=C21)C(CC3(CC)CC)(CC)CC)Br)(CC)CC)CC |
| Synonym | Eind-Br |
| IUPAC Name | 4-bromo-1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacene |
| InChI Key | SNWPVKQFJCNSIU-UHFFFAOYSA-N |
| Molecular Formula | C28H45Br |
(1R,2S)-(+)-1-Amino-2-indanol 98.0+%, TCI America™
CAS: 136030-00-7 Molecular Formula: C9H12NO Molecular Weight (g/mol): 150.20 MDL Number: MFCD00216656,MFCD01318239 InChI Key: LOPKSXMQWBYUOI-DTWKUNHWSA-O Synonym: 1r,2s-1-amino-2-indanol,1r,2s-1-amino-2,3-dihydro-1h-inden-2-ol,cis-1-amino-2-indanol,1r,2s-+-cis-1-amino-2-indanol,cis-1-amino-2,3-dihydro-1h-inden-2-ol,1r,2s-+-1-amino-2-hydroxyindan,1r,2s-1-amino-2-hydroxyindane,1r,2s-+-1-amino-2-indanol,1r,2s-+-cis-1-aminoindan-2-ol,1r,2s-cis-1-amino-2-indanol PubChem CID: 2725045 IUPAC Name: (1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-aminium SMILES: [NH3+][C@H]1[C@@H](O)CC2=CC=CC=C12
| PubChem CID | 2725045 |
|---|---|
| CAS | 136030-00-7 |
| Molecular Weight (g/mol) | 150.20 |
| MDL Number | MFCD00216656,MFCD01318239 |
| SMILES | [NH3+][C@H]1[C@@H](O)CC2=CC=CC=C12 |
| Synonym | 1r,2s-1-amino-2-indanol,1r,2s-1-amino-2,3-dihydro-1h-inden-2-ol,cis-1-amino-2-indanol,1r,2s-+-cis-1-amino-2-indanol,cis-1-amino-2,3-dihydro-1h-inden-2-ol,1r,2s-+-1-amino-2-hydroxyindan,1r,2s-1-amino-2-hydroxyindane,1r,2s-+-1-amino-2-indanol,1r,2s-+-cis-1-aminoindan-2-ol,1r,2s-cis-1-amino-2-indanol |
| IUPAC Name | (1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-aminium |
| InChI Key | LOPKSXMQWBYUOI-DTWKUNHWSA-O |
| Molecular Formula | C9H12NO |
1,2-Dihydroxyindan 98.0+%, TCI America™
CAS: 4370-02-9 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 InChI Key: YKXXBEOXRPZVCC-UHFFFAOYNA-N Synonym: 1,2-Indandiol PubChem CID: 521197 IUPAC Name: 2,3-dihydro-1H-indene-1,2-diol SMILES: C1C(C(C2=CC=CC=C21)O)O
| PubChem CID | 521197 |
|---|---|
| CAS | 4370-02-9 |
| Molecular Weight (g/mol) | 150.18 |
| SMILES | C1C(C(C2=CC=CC=C21)O)O |
| Synonym | 1,2-Indandiol |
| IUPAC Name | 2,3-dihydro-1H-indene-1,2-diol |
| InChI Key | YKXXBEOXRPZVCC-UHFFFAOYNA-N |
| Molecular Formula | C9H10O2 |
1-Acetoxyindan 98.0+%, TCI America™
CAS: 26452-98-2 Molecular Formula: C11H12O2 Molecular Weight (g/mol): 176.22 MDL Number: MFCD00053467 InChI Key: BZZWYQKRGRYJAX-UHFFFAOYNA-N PubChem CID: 233153 IUPAC Name: 2,3-dihydro-1H-inden-1-yl acetate SMILES: CC(=O)OC1CCC2=CC=CC=C12
| PubChem CID | 233153 |
|---|---|
| CAS | 26452-98-2 |
| Molecular Weight (g/mol) | 176.22 |
| MDL Number | MFCD00053467 |
| SMILES | CC(=O)OC1CCC2=CC=CC=C12 |
| IUPAC Name | 2,3-dihydro-1H-inden-1-yl acetate |
| InChI Key | BZZWYQKRGRYJAX-UHFFFAOYNA-N |
| Molecular Formula | C11H12O2 |
4,4'-Dibromo-1,1'-spirobiindane-7,7'-diol 98.0+%, TCI America™
CAS: 681481-91-4 Molecular Formula: C17H14Br2O2 Molecular Weight (g/mol): 410.105 MDL Number: MFCD16660947 InChI Key: OZVMVFKUNSNXQC-UHFFFAOYSA-N PubChem CID: 11235237 IUPAC Name: 7,7'-dibromo-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol SMILES: C1CC2(CCC3=C(C=CC(=C32)O)Br)C4=C(C=CC(=C41)Br)O
| PubChem CID | 11235237 |
|---|---|
| CAS | 681481-91-4 |
| Molecular Weight (g/mol) | 410.105 |
| MDL Number | MFCD16660947 |
| SMILES | C1CC2(CCC3=C(C=CC(=C32)O)Br)C4=C(C=CC(=C41)Br)O |
| IUPAC Name | 7,7'-dibromo-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol |
| InChI Key | OZVMVFKUNSNXQC-UHFFFAOYSA-N |
| Molecular Formula | C17H14Br2O2 |
1-Ethoxy-2,3-difluoro-4-(trans-4-propylcyclohexyl)benzene 98.0+%, TCI America™
CAS: 174350-05-1 Molecular Formula: C17H24F2O Molecular Weight (g/mol): 282.375 MDL Number: MFCD11053400 InChI Key: BOAHGIPRRKDVQY-UHFFFAOYSA-N PubChem CID: 19103501 IUPAC Name: 1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene SMILES: CCCC1CCC(CC1)C2=C(C(=C(C=C2)OCC)F)F
| PubChem CID | 19103501 |
|---|---|
| CAS | 174350-05-1 |
| Molecular Weight (g/mol) | 282.375 |
| MDL Number | MFCD11053400 |
| SMILES | CCCC1CCC(CC1)C2=C(C(=C(C=C2)OCC)F)F |
| IUPAC Name | 1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene |
| InChI Key | BOAHGIPRRKDVQY-UHFFFAOYSA-N |
| Molecular Formula | C17H24F2O |
4-Fluorobenzonitrile 99.0+%, TCI America™
CAS: 1194-02-1 Molecular Formula: C7H4FN Molecular Weight (g/mol): 121.114 MDL Number: MFCD00001812 InChI Key: AEKVBBNGWBBYLL-UHFFFAOYSA-N Synonym: p-fluorobenzonitrile,benzonitrile, 4-fluoro,4-cyanofluorobenzene,p-cyanofluorobenzene,benzonitrile, p-fluoro,4-fluoro-benzonitrile,4-fluorobenzenecarbonitrile,4-fluorobenzonitril,pfbn,1-cyano-4-fluorobenzene PubChem CID: 14517 IUPAC Name: 4-fluorobenzonitrile SMILES: C1=CC(=CC=C1C#N)F
| PubChem CID | 14517 |
|---|---|
| CAS | 1194-02-1 |
| Molecular Weight (g/mol) | 121.114 |
| MDL Number | MFCD00001812 |
| SMILES | C1=CC(=CC=C1C#N)F |
| Synonym | p-fluorobenzonitrile,benzonitrile, 4-fluoro,4-cyanofluorobenzene,p-cyanofluorobenzene,benzonitrile, p-fluoro,4-fluoro-benzonitrile,4-fluorobenzenecarbonitrile,4-fluorobenzonitril,pfbn,1-cyano-4-fluorobenzene |
| IUPAC Name | 4-fluorobenzonitrile |
| InChI Key | AEKVBBNGWBBYLL-UHFFFAOYSA-N |
| Molecular Formula | C7H4FN |
2,5-Difluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 193353-34-3 Molecular Formula: C6H5BF2O2 Molecular Weight (g/mol): 157.911 MDL Number: MFCD01863171 InChI Key: KTOJGSDLJNUAEP-UHFFFAOYSA-N Synonym: 2,5-difluorophenyl boronic acid,2,5-difluorobenzeneboronic acid,2,5-difluorophenyl boranediol,boronic acid, 2,5-difluorophenyl,2,5-difluorophenylboronicacid,2,5-fluorobenzene boronic acid,pubchem1820,acmc-1c1am,ksc174i6r,2,5-difluoro phenylboronic acid PubChem CID: 2734335 IUPAC Name: (2,5-difluorophenyl)boronic acid SMILES: B(C1=C(C=CC(=C1)F)F)(O)O
| PubChem CID | 2734335 |
|---|---|
| CAS | 193353-34-3 |
| Molecular Weight (g/mol) | 157.911 |
| MDL Number | MFCD01863171 |
| SMILES | B(C1=C(C=CC(=C1)F)F)(O)O |
| Synonym | 2,5-difluorophenyl boronic acid,2,5-difluorobenzeneboronic acid,2,5-difluorophenyl boranediol,boronic acid, 2,5-difluorophenyl,2,5-difluorophenylboronicacid,2,5-fluorobenzene boronic acid,pubchem1820,acmc-1c1am,ksc174i6r,2,5-difluoro phenylboronic acid |
| IUPAC Name | (2,5-difluorophenyl)boronic acid |
| InChI Key | KTOJGSDLJNUAEP-UHFFFAOYSA-N |
| Molecular Formula | C6H5BF2O2 |
4-Amino-2,5-difluorobenzonitrile 98.0+%, TCI America™
CAS: 112279-61-5 Molecular Formula: C7H4F2N2 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00190102 InChI Key: LAPGMTOHOQPDGI-UHFFFAOYSA-N Synonym: 2,5-difluoro-4-aminobenzonitrile,4-cyano-2,5-difluoroaniline,4-amino-2,5-difluoro-benzonitrile,4-amino-2,5-difluorobenzenecarbonitrile,4-cyano,pubchem3536,ksc507o5b,4-cyano-2,5-difluoro-aniline,timtec-bb sbb028311,buttpark 100\07-75 PubChem CID: 2735900 IUPAC Name: 4-amino-2,5-difluorobenzonitrile SMILES: C1=C(C(=CC(=C1F)N)F)C#N
| PubChem CID | 2735900 |
|---|---|
| CAS | 112279-61-5 |
| Molecular Weight (g/mol) | 154.12 |
| MDL Number | MFCD00190102 |
| SMILES | C1=C(C(=CC(=C1F)N)F)C#N |
| Synonym | 2,5-difluoro-4-aminobenzonitrile,4-cyano-2,5-difluoroaniline,4-amino-2,5-difluoro-benzonitrile,4-amino-2,5-difluorobenzenecarbonitrile,4-cyano,pubchem3536,ksc507o5b,4-cyano-2,5-difluoro-aniline,timtec-bb sbb028311,buttpark 100\07-75 |
| IUPAC Name | 4-amino-2,5-difluorobenzonitrile |
| InChI Key | LAPGMTOHOQPDGI-UHFFFAOYSA-N |
| Molecular Formula | C7H4F2N2 |
3,4-Difluorophenyl Isothiocyanate 98.0+%, TCI America™
CAS: 113028-75-4 Molecular Formula: C7H3F2NS Molecular Weight (g/mol): 171.16 MDL Number: MFCD00175109 InChI Key: SVZKYXSJICYUOH-UHFFFAOYSA-N Synonym: Isothiocyanic Acid 3,4-Difluorophenyl Ester PubChem CID: 2758331 IUPAC Name: 1,2-difluoro-4-isothiocyanatobenzene SMILES: FC1=C(F)C=C(C=C1)N=C=S
| PubChem CID | 2758331 |
|---|---|
| CAS | 113028-75-4 |
| Molecular Weight (g/mol) | 171.16 |
| MDL Number | MFCD00175109 |
| SMILES | FC1=C(F)C=C(C=C1)N=C=S |
| Synonym | Isothiocyanic Acid 3,4-Difluorophenyl Ester |
| IUPAC Name | 1,2-difluoro-4-isothiocyanatobenzene |
| InChI Key | SVZKYXSJICYUOH-UHFFFAOYSA-N |
| Molecular Formula | C7H3F2NS |
4-Fluoro-1,2-phenylenediamine 98.0+%, TCI America™
CAS: 367-31-7 Molecular Formula: C6H7FN2 Molecular Weight (g/mol): 126.134 MDL Number: MFCD00042228 InChI Key: KWEWNOOZQVJONF-UHFFFAOYSA-N Synonym: 1,2-diamino-4-fluorobenzene,4-fluoro-1,2-phenylenediamine,3,4-diaminofluorobenzene,4-fluoro-o-phenylenediamine,2-amino-4-fluoroaniline,4-fluoro-1,2-diaminobenzene,3,4-diamino-1-fluorobenzene,5-fluoro-1,2-diaminobenzene,4-fluoro-1,2-benzenediamine,1,2-benzenediamine, 4-fluoro PubChem CID: 164584 IUPAC Name: 4-fluorobenzene-1,2-diamine SMILES: C1=CC(=C(C=C1F)N)N
| PubChem CID | 164584 |
|---|---|
| CAS | 367-31-7 |
| Molecular Weight (g/mol) | 126.134 |
| MDL Number | MFCD00042228 |
| SMILES | C1=CC(=C(C=C1F)N)N |
| Synonym | 1,2-diamino-4-fluorobenzene,4-fluoro-1,2-phenylenediamine,3,4-diaminofluorobenzene,4-fluoro-o-phenylenediamine,2-amino-4-fluoroaniline,4-fluoro-1,2-diaminobenzene,3,4-diamino-1-fluorobenzene,5-fluoro-1,2-diaminobenzene,4-fluoro-1,2-benzenediamine,1,2-benzenediamine, 4-fluoro |
| IUPAC Name | 4-fluorobenzene-1,2-diamine |
| InChI Key | KWEWNOOZQVJONF-UHFFFAOYSA-N |
| Molecular Formula | C6H7FN2 |
| PubChem CID | 2734660 |
|---|---|
| CAS | 144432-85-9 |
| Molecular Weight (g/mol) | 174.362 |
| MDL Number | MFCD00051800 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC(=C(C=C1)F)Cl)(O)O |
| TSCA | No |
| IUPAC Name | (3-chloro-4-fluorophenyl)boronic acid |
| InChI Key | WJDZZXIDQYKVDG-UHFFFAOYSA-N |
| Molecular Formula | C6H5BClFO2 |
| Formula Weight | 174.36 |
| Melting Point | 247°C |
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 |
2-Bromo-4,5-difluorotoluene 98.0+%, TCI America™
CAS: 875664-38-3 Molecular Formula: C7H5BrF2 Molecular Weight (g/mol): 207.018 MDL Number: MFCD07777160 InChI Key: FKEURBCLFHOBDM-UHFFFAOYSA-N Synonym: 2-bromo-4,5-difluorotoluene,1-bromo-4,5-difluoro-2-methyl-benzene,4,5-difluoro-2-methylbromobenzene,ksc495c2l,bromo-4,5-difluoro-2-methyl-benzene,4,5-difluoro-2-methyl-1-bromobenzene,1-brommo-4,5-difluoro-2-methyl-benzene,benzene,1-bromo-4,5-difluoro-2-methyl PubChem CID: 44890785 IUPAC Name: 1-bromo-4,5-difluoro-2-methylbenzene SMILES: CC1=CC(=C(C=C1Br)F)F
| PubChem CID | 44890785 |
|---|---|
| CAS | 875664-38-3 |
| Molecular Weight (g/mol) | 207.018 |
| MDL Number | MFCD07777160 |
| SMILES | CC1=CC(=C(C=C1Br)F)F |
| Synonym | 2-bromo-4,5-difluorotoluene,1-bromo-4,5-difluoro-2-methyl-benzene,4,5-difluoro-2-methylbromobenzene,ksc495c2l,bromo-4,5-difluoro-2-methyl-benzene,4,5-difluoro-2-methyl-1-bromobenzene,1-brommo-4,5-difluoro-2-methyl-benzene,benzene,1-bromo-4,5-difluoro-2-methyl |
| IUPAC Name | 1-bromo-4,5-difluoro-2-methylbenzene |
| InChI Key | FKEURBCLFHOBDM-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrF2 |