Benzene and substituted derivatives
Filtered Search Results
| PubChem CID | 2773478 |
|---|---|
| CAS | 216019-28-2 |
| MDL Number | MFCD01074634 |
| Color | White |
| Physical Form | Crystalline Powder |
| TSCA | No |
| InChI Key | QSWLFBMVIGQONC-UHFFFAOYSA-N |
| Molecular Formula | C9H13BO2 |
| Formula Weight | 164.01 |
2-Isopropylbenzenethiol 95.0+%, TCI America™
CAS: 6262-87-9 Molecular Formula: C9H12S Molecular Weight (g/mol): 152.255 MDL Number: MFCD00004837 InChI Key: QEDRUXIMTJVXFL-UHFFFAOYSA-N Synonym: 2-Isopropylthiophenol PubChem CID: 96003 IUPAC Name: 2-propan-2-ylbenzenethiol SMILES: CC(C)C1=CC=CC=C1S
| PubChem CID | 96003 |
|---|---|
| CAS | 6262-87-9 |
| Molecular Weight (g/mol) | 152.255 |
| MDL Number | MFCD00004837 |
| SMILES | CC(C)C1=CC=CC=C1S |
| Synonym | 2-Isopropylthiophenol |
| IUPAC Name | 2-propan-2-ylbenzenethiol |
| InChI Key | QEDRUXIMTJVXFL-UHFFFAOYSA-N |
| Molecular Formula | C9H12S |
2-Bromocumene 97.0+%, TCI America™
CAS: 7073-94-1 Molecular Formula: C9H11Br Molecular Weight (g/mol): 199.091 MDL Number: MFCD00051567 InChI Key: LECYCYNAEJDSIL-UHFFFAOYSA-N Synonym: 1-bromo-2-isopropylbenzene,1-bromo-2-1-methylethyl benzene,2-isopropylbromobenzene,o-bromocumene,2-bromocumene,2-bromo cumene,cumene, o-bromo,benzene, 1-bromo-2-1-methylethyl,1-bromo-2-propan-2-yl benzene,1-bromo-2-isopropyl benzene PubChem CID: 23475 IUPAC Name: 1-bromo-2-propan-2-ylbenzene SMILES: CC(C)C1=CC=CC=C1Br
| PubChem CID | 23475 |
|---|---|
| CAS | 7073-94-1 |
| Molecular Weight (g/mol) | 199.091 |
| MDL Number | MFCD00051567 |
| SMILES | CC(C)C1=CC=CC=C1Br |
| Synonym | 1-bromo-2-isopropylbenzene,1-bromo-2-1-methylethyl benzene,2-isopropylbromobenzene,o-bromocumene,2-bromocumene,2-bromo cumene,cumene, o-bromo,benzene, 1-bromo-2-1-methylethyl,1-bromo-2-propan-2-yl benzene,1-bromo-2-isopropyl benzene |
| IUPAC Name | 1-bromo-2-propan-2-ylbenzene |
| InChI Key | LECYCYNAEJDSIL-UHFFFAOYSA-N |
| Molecular Formula | C9H11Br |
4-Isopropylbenzenethiol 94.0+%, TCI America™
CAS: 4946-14-9 Molecular Formula: C9H11S Molecular Weight (g/mol): 151.25 MDL Number: MFCD00041505 InChI Key: APDUDRFJNCIWAG-UHFFFAOYSA-M Synonym: 4-isopropylthiophenol,4-isopropylbenzenethiol,4-isopropyl thiophenol,4-propan-2-yl benzene-1-thiol,benzenethiol, 4-1-methylethyl,4-1-methylethyl benzenethiol,p-cumyl mercaptan,pubchem6814,p-isopropyl thiophenol PubChem CID: 521251 IUPAC Name: [4-(propan-2-yl)phenyl]sulfanide SMILES: CC(C)C1=CC=C([S-])C=C1
| PubChem CID | 521251 |
|---|---|
| CAS | 4946-14-9 |
| Molecular Weight (g/mol) | 151.25 |
| MDL Number | MFCD00041505 |
| SMILES | CC(C)C1=CC=C([S-])C=C1 |
| Synonym | 4-isopropylthiophenol,4-isopropylbenzenethiol,4-isopropyl thiophenol,4-propan-2-yl benzene-1-thiol,benzenethiol, 4-1-methylethyl,4-1-methylethyl benzenethiol,p-cumyl mercaptan,pubchem6814,p-isopropyl thiophenol |
| IUPAC Name | [4-(propan-2-yl)phenyl]sulfanide |
| InChI Key | APDUDRFJNCIWAG-UHFFFAOYSA-M |
| Molecular Formula | C9H11S |
2-Nitrocumene 97.0+%, TCI America™
CAS: 6526-72-3 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00039739 InChI Key: BSMKYQUHXQAVKG-UHFFFAOYSA-N Synonym: 2-Nitroisopropylbenzene PubChem CID: 81013 IUPAC Name: 1-nitro-2-(propan-2-yl)benzene SMILES: CC(C)C1=CC=CC=C1[N+]([O-])=O
| PubChem CID | 81013 |
|---|---|
| CAS | 6526-72-3 |
| Molecular Weight (g/mol) | 165.19 |
| MDL Number | MFCD00039739 |
| SMILES | CC(C)C1=CC=CC=C1[N+]([O-])=O |
| Synonym | 2-Nitroisopropylbenzene |
| IUPAC Name | 1-nitro-2-(propan-2-yl)benzene |
| InChI Key | BSMKYQUHXQAVKG-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
4-Nitrocumene 98.0+%, TCI America™
CAS: 1817-47-6 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00039746 InChI Key: JXMYUMNAEKRMIP-UHFFFAOYSA-N Synonym: 1-isopropyl-4-nitrobenzene,p-nitrocumene,4-nitrocumene,4-isopropylnitrobenzene,benzene, 1-1-methylethyl-4-nitro,cumene, p-nitro,p-isopropylnitrobenzene,p-nitroisopropylbenzene,4-nitroisopropylbenzene,2-p-nitrophenyl propane PubChem CID: 15749 IUPAC Name: 1-nitro-4-propan-2-ylbenzene SMILES: CC(C)C1=CC=C(C=C1)[N+](=O)[O-]
| PubChem CID | 15749 |
|---|---|
| CAS | 1817-47-6 |
| Molecular Weight (g/mol) | 165.192 |
| MDL Number | MFCD00039746 |
| SMILES | CC(C)C1=CC=C(C=C1)[N+](=O)[O-] |
| Synonym | 1-isopropyl-4-nitrobenzene,p-nitrocumene,4-nitrocumene,4-isopropylnitrobenzene,benzene, 1-1-methylethyl-4-nitro,cumene, p-nitro,p-isopropylnitrobenzene,p-nitroisopropylbenzene,4-nitroisopropylbenzene,2-p-nitrophenyl propane |
| IUPAC Name | 1-nitro-4-propan-2-ylbenzene |
| InChI Key | JXMYUMNAEKRMIP-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
2-Phenylphenol Sodium Salt Tetrahydrate 80.0+%, TCI America™
CAS: 132-27-4 Molecular Formula: C12H9NaO Molecular Weight (g/mol): 192.193 MDL Number: MFCD00002209 InChI Key: KSQXVLVXUFHGJQ-UHFFFAOYSA-M Synonym: sodium 1,1'-biphenyl-2-olate,sodium 2-biphenylate,sodium o-phenylphenate,2-phenylphenol sodium salt,natriphene,orphenol,bactrol,o-phenylphenol sodium,sodium o-phenylphenol,dowicide a PubChem CID: 23675735 ChEBI: CHEBI:82371 IUPAC Name: sodium;2-phenylphenolate SMILES: C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+]
| PubChem CID | 23675735 |
|---|---|
| CAS | 132-27-4 |
| Molecular Weight (g/mol) | 192.193 |
| ChEBI | CHEBI:82371 |
| MDL Number | MFCD00002209 |
| SMILES | C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+] |
| Synonym | sodium 1,1'-biphenyl-2-olate,sodium 2-biphenylate,sodium o-phenylphenate,2-phenylphenol sodium salt,natriphene,orphenol,bactrol,o-phenylphenol sodium,sodium o-phenylphenol,dowicide a |
| IUPAC Name | sodium;2-phenylphenolate |
| InChI Key | KSQXVLVXUFHGJQ-UHFFFAOYSA-M |
| Molecular Formula | C12H9NaO |
Atenolol 98.0+%, TCI America™
CAS: 29122-68-7 Molecular Formula: C14H22N2O3 Molecular Weight (g/mol): 266.341 MDL Number: MFCD00057645 InChI Key: METKIMKYRPQLGS-UHFFFAOYSA-N Synonym: atenolol,tenormin,tenormine,normiten,blokium,prenormine,tenoblock,atehexal,betablok,cuxanorm PubChem CID: 2249 ChEBI: CHEBI:2904 IUPAC Name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide SMILES: CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O
| PubChem CID | 2249 |
|---|---|
| CAS | 29122-68-7 |
| Molecular Weight (g/mol) | 266.341 |
| ChEBI | CHEBI:2904 |
| MDL Number | MFCD00057645 |
| SMILES | CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O |
| Synonym | atenolol,tenormin,tenormine,normiten,blokium,prenormine,tenoblock,atehexal,betablok,cuxanorm |
| IUPAC Name | 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide |
| InChI Key | METKIMKYRPQLGS-UHFFFAOYSA-N |
| Molecular Formula | C14H22N2O3 |
2,4-Dibromoanisole 98.0+%, TCI America™
CAS: 21702-84-1 Molecular Formula: C7H6Br2O Molecular Weight (g/mol): 265.932 MDL Number: MFCD00000079 InChI Key: XGXUGXPKRBQINS-UHFFFAOYSA-N PubChem CID: 27011 IUPAC Name: 2,4-dibromo-1-methoxybenzene SMILES: COC1=C(C=C(C=C1)Br)Br
| PubChem CID | 27011 |
|---|---|
| CAS | 21702-84-1 |
| Molecular Weight (g/mol) | 265.932 |
| MDL Number | MFCD00000079 |
| SMILES | COC1=C(C=C(C=C1)Br)Br |
| IUPAC Name | 2,4-dibromo-1-methoxybenzene |
| InChI Key | XGXUGXPKRBQINS-UHFFFAOYSA-N |
| Molecular Formula | C7H6Br2O |
2-(1-Adamantyl)-4-bromoanisole 98.0+%, TCI America™
CAS: 104224-63-7 Molecular Formula: C17H21BrO Molecular Weight (g/mol): 321.258 MDL Number: MFCD03855308 InChI Key: QQAMHHZQONQBFZ-UHFFFAOYSA-N Synonym: 1-(5-Bromo-2-methoxyphenyl)adamantane PubChem CID: 3285024 IUPAC Name: 1-(5-bromo-2-methoxyphenyl)adamantane SMILES: COC1=C(C=C(C=C1)Br)C23CC4CC(C2)CC(C4)C3
| PubChem CID | 3285024 |
|---|---|
| CAS | 104224-63-7 |
| Molecular Weight (g/mol) | 321.258 |
| MDL Number | MFCD03855308 |
| SMILES | COC1=C(C=C(C=C1)Br)C23CC4CC(C2)CC(C4)C3 |
| Synonym | 1-(5-Bromo-2-methoxyphenyl)adamantane |
| IUPAC Name | 1-(5-bromo-2-methoxyphenyl)adamantane |
| InChI Key | QQAMHHZQONQBFZ-UHFFFAOYSA-N |
| Molecular Formula | C17H21BrO |
5-Amino-3-(4-methoxyphenyl)-1-phenylpyrazole 98.0+%, TCI America™
CAS: 19652-13-2 Molecular Formula: C16H15N3O Molecular Weight (g/mol): 265.32 MDL Number: MFCD00197061 InChI Key: LMLGFNHDEGGHOJ-UHFFFAOYSA-N PubChem CID: 4056290 IUPAC Name: 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-5-amine SMILES: COC1=CC=C(C=C1)C1=NN(C(N)=C1)C1=CC=CC=C1
| PubChem CID | 4056290 |
|---|---|
| CAS | 19652-13-2 |
| Molecular Weight (g/mol) | 265.32 |
| MDL Number | MFCD00197061 |
| SMILES | COC1=CC=C(C=C1)C1=NN(C(N)=C1)C1=CC=CC=C1 |
| IUPAC Name | 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-5-amine |
| InChI Key | LMLGFNHDEGGHOJ-UHFFFAOYSA-N |
| Molecular Formula | C16H15N3O |
3-Methoxy-4-methylbenzonitrile 98.0+%, TCI America™
CAS: 3556-60-3 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD03428590 InChI Key: QLJZMAGXHHXXMS-UHFFFAOYSA-N Synonym: 4-Cyano-2-methoxytoluene, 5-Cyano-2-methylanisole PubChem CID: 14752994 IUPAC Name: 3-methoxy-4-methylbenzonitrile SMILES: CC1=C(C=C(C=C1)C#N)OC
| PubChem CID | 14752994 |
|---|---|
| CAS | 3556-60-3 |
| Molecular Weight (g/mol) | 147.177 |
| MDL Number | MFCD03428590 |
| SMILES | CC1=C(C=C(C=C1)C#N)OC |
| Synonym | 4-Cyano-2-methoxytoluene, 5-Cyano-2-methylanisole |
| IUPAC Name | 3-methoxy-4-methylbenzonitrile |
| InChI Key | QLJZMAGXHHXXMS-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
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 |
4-Fluoro-3-methoxybenzonitrile, TCI America™
CAS: 243128-37-2 Molecular Formula: C8H6FNO Molecular Weight (g/mol): 151.14 MDL Number: MFCD01569371 InChI Key: FOWHAPVFVBXMBK-UHFFFAOYSA-N Synonym: 3-methoxy-4-fluorobenzonitrile,4-fluoro-3-methoxy benzonitrile,benzonitrile, 4-fluoro-3-methoxy,4-fluoro-3-methoxy-benzonitrile,4-fluoro-3-methoxybenzenecarbonitrile,pubchem3501,acmc-209gaq,5-cyano-2-fluoroanisole,intermediates-zcf02653,ksc494k3r PubChem CID: 2737365 IUPAC Name: 4-fluoro-3-methoxybenzonitrile SMILES: COC1=C(F)C=CC(=C1)C#N
| PubChem CID | 2737365 |
|---|---|
| CAS | 243128-37-2 |
| Molecular Weight (g/mol) | 151.14 |
| MDL Number | MFCD01569371 |
| SMILES | COC1=C(F)C=CC(=C1)C#N |
| Synonym | 3-methoxy-4-fluorobenzonitrile,4-fluoro-3-methoxy benzonitrile,benzonitrile, 4-fluoro-3-methoxy,4-fluoro-3-methoxy-benzonitrile,4-fluoro-3-methoxybenzenecarbonitrile,pubchem3501,acmc-209gaq,5-cyano-2-fluoroanisole,intermediates-zcf02653,ksc494k3r |
| IUPAC Name | 4-fluoro-3-methoxybenzonitrile |
| InChI Key | FOWHAPVFVBXMBK-UHFFFAOYSA-N |
| Molecular Formula | C8H6FNO |
1-Ethyl-4-[(4-methoxyphenyl)ethynyl]benzene 98.0+%, TCI America™
CAS: 63221-88-5 Molecular Formula: C17H16O Molecular Weight (g/mol): 236.31 MDL Number: MFCD00807428 InChI Key: YWDALJMLXXWXFP-UHFFFAOYSA-N Synonym: 1-ethyl-4-4-methoxyphenyl ethynyl benzene,1-4-ethylphenyl-2-4-methoxyphenyl acetylene,4-4-ethylphenyl ethynyl anisole,1-ethyl-4-2-4-methoxyphenyl ethynyl benzene,benzene,1-ethyl-4-2-4-methoxyphenyl ethynyl,1-2-4-ethylphenyl ethynyl-4-methoxybenzene,4-methoxy-4'-ethyltolane,acmc-209ne1 PubChem CID: 3952083 IUPAC Name: 1-ethyl-4-[2-(4-methoxyphenyl)ethynyl]benzene SMILES: CCC1=CC=C(C=C1)C#CC1=CC=C(OC)C=C1
| PubChem CID | 3952083 |
|---|---|
| CAS | 63221-88-5 |
| Molecular Weight (g/mol) | 236.31 |
| MDL Number | MFCD00807428 |
| SMILES | CCC1=CC=C(C=C1)C#CC1=CC=C(OC)C=C1 |
| Synonym | 1-ethyl-4-4-methoxyphenyl ethynyl benzene,1-4-ethylphenyl-2-4-methoxyphenyl acetylene,4-4-ethylphenyl ethynyl anisole,1-ethyl-4-2-4-methoxyphenyl ethynyl benzene,benzene,1-ethyl-4-2-4-methoxyphenyl ethynyl,1-2-4-ethylphenyl ethynyl-4-methoxybenzene,4-methoxy-4'-ethyltolane,acmc-209ne1 |
| IUPAC Name | 1-ethyl-4-[2-(4-methoxyphenyl)ethynyl]benzene |
| InChI Key | YWDALJMLXXWXFP-UHFFFAOYSA-N |
| Molecular Formula | C17H16O |