Benzene and substituted derivatives
Filtered Search Results
| PubChem CID | 3613184 |
|---|---|
| CAS | 380430-49-9 |
| MDL Number | MFCD02093054 |
| Color | White |
| Physical Form | Crystalline Powder |
| TSCA | No |
| InChI Key | UBVOLHQIEQVXGM-UHFFFAOYSA-N |
| Molecular Formula | C11H16BNO4 |
| Formula Weight | 237.06 |
| Melting Point | 204°C |
Bis[2-(4-methoxyphenoxy)ethyl] Ether 98.0+%, TCI America™
CAS: 104104-12-3 Molecular Formula: C18H22O5 Molecular Weight (g/mol): 318.369 MDL Number: MFCD00143755 InChI Key: AJXHXSKQHBJNPB-UHFFFAOYSA-N PubChem CID: 629140 IUPAC Name: 1-methoxy-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene SMILES: COC1=CC=C(C=C1)OCCOCCOC2=CC=C(C=C2)OC
| PubChem CID | 629140 |
|---|---|
| CAS | 104104-12-3 |
| Molecular Weight (g/mol) | 318.369 |
| MDL Number | MFCD00143755 |
| SMILES | COC1=CC=C(C=C1)OCCOCCOC2=CC=C(C=C2)OC |
| IUPAC Name | 1-methoxy-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene |
| InChI Key | AJXHXSKQHBJNPB-UHFFFAOYSA-N |
| Molecular Formula | C18H22O5 |
1-(2,3,4-Trimethoxybenzyl)piperazine Dihydrochloride 98.0+%, TCI America™
CAS: 13171-25-0 Molecular Formula: C14H24Cl2N2O3 Molecular Weight (g/mol): 339.257 MDL Number: MFCD00243086 InChI Key: VYFLPFGUVGMBEP-UHFFFAOYSA-N Synonym: trimetazidine dihydrochloride,1-2,3,4-trimethoxybenzyl piperazine dihydrochloride,kyurinett,trimetazidine hydrochloride,trimetajust,lubomail,vastarel,yosimilon,1-2,3,4-trimethoxyphenyl methyl piperazine dihydrochloride,trimetazidine 2hcl PubChem CID: 83201 IUPAC Name: 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine;dihydrochloride SMILES: COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC.Cl.Cl
| PubChem CID | 83201 |
|---|---|
| CAS | 13171-25-0 |
| Molecular Weight (g/mol) | 339.257 |
| MDL Number | MFCD00243086 |
| SMILES | COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC.Cl.Cl |
| Synonym | trimetazidine dihydrochloride,1-2,3,4-trimethoxybenzyl piperazine dihydrochloride,kyurinett,trimetazidine hydrochloride,trimetajust,lubomail,vastarel,yosimilon,1-2,3,4-trimethoxyphenyl methyl piperazine dihydrochloride,trimetazidine 2hcl |
| IUPAC Name | 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine;dihydrochloride |
| InChI Key | VYFLPFGUVGMBEP-UHFFFAOYSA-N |
| Molecular Formula | C14H24Cl2N2O3 |
3-(Trifluoromethyl)benzenethiol 95.0+%, TCI America™
CAS: 937-00-8 Molecular Formula: C7H5F3S Molecular Weight (g/mol): 178.17 MDL Number: MFCD00041142 InChI Key: SCURCOWZQJIUGR-UHFFFAOYSA-N Synonym: 3-trifluoromethyl thiophenol,3-trifluoromethyl benzenethiol,3-trifluoromethyl benzene-1-thiol,3-trifluoromethylthiophenol,m-trifluoromethylthiophenol,3-mercaptobenzotrifluoride,m-trifluoromethyl benzenethiol,benzenethiol, 3-trifluoromethyl,pubchem4600 PubChem CID: 136751 IUPAC Name: 3-(trifluoromethyl)benzene-1-thiol SMILES: FC(F)(F)C1=CC=CC(S)=C1
| PubChem CID | 136751 |
|---|---|
| CAS | 937-00-8 |
| Molecular Weight (g/mol) | 178.17 |
| MDL Number | MFCD00041142 |
| SMILES | FC(F)(F)C1=CC=CC(S)=C1 |
| Synonym | 3-trifluoromethyl thiophenol,3-trifluoromethyl benzenethiol,3-trifluoromethyl benzene-1-thiol,3-trifluoromethylthiophenol,m-trifluoromethylthiophenol,3-mercaptobenzotrifluoride,m-trifluoromethyl benzenethiol,benzenethiol, 3-trifluoromethyl,pubchem4600 |
| IUPAC Name | 3-(trifluoromethyl)benzene-1-thiol |
| InChI Key | SCURCOWZQJIUGR-UHFFFAOYSA-N |
| Molecular Formula | C7H5F3S |
2,5-Dichloroanisole, TCI America™
CAS: 1984-58-3 Molecular Formula: C7H6Cl2O Molecular Weight (g/mol): 177.02 MDL Number: MFCD00061123 InChI Key: QKMNFFSBZRGHDJ-UHFFFAOYSA-N Synonym: 2,5-dichloroanisole,benzene, 1,4-dichloro-2-methoxy,2,5-dichloromethoxybenzene,banair,anisole, 2,5-dichloro,unii-8b3j0y3cj1,2,5-dichloroanizole,pubchem3681,dsstox_cid_7452 PubChem CID: 16125 IUPAC Name: 1,4-dichloro-2-methoxybenzene SMILES: COC1=CC(Cl)=CC=C1Cl
| PubChem CID | 16125 |
|---|---|
| CAS | 1984-58-3 |
| Molecular Weight (g/mol) | 177.02 |
| MDL Number | MFCD00061123 |
| SMILES | COC1=CC(Cl)=CC=C1Cl |
| Synonym | 2,5-dichloroanisole,benzene, 1,4-dichloro-2-methoxy,2,5-dichloromethoxybenzene,banair,anisole, 2,5-dichloro,unii-8b3j0y3cj1,2,5-dichloroanizole,pubchem3681,dsstox_cid_7452 |
| IUPAC Name | 1,4-dichloro-2-methoxybenzene |
| InChI Key | QKMNFFSBZRGHDJ-UHFFFAOYSA-N |
| Molecular Formula | C7H6Cl2O |
2-Fluoro-4-methylbenzonitrile 98.0+%, TCI America™
CAS: 85070-67-3 Molecular Formula: C8H6FN Molecular Weight (g/mol): 135.14 MDL Number: MFCD03094311 InChI Key: WCGNLBCJPBKXCN-UHFFFAOYSA-N Synonym: 4-cyano-3-fluorotoluene,2-fluoro-4-methylbenzenecarbonitrile,2-fluoro-4-methyl-benzonitrile,benzonitrile, 2-fluoro-4-methyl,pubchem1555,2-fluoro-p-tolunitrile,acmc-209q3w,ksc494e6d,4-methyl-2-fluorobenzonitrile,pharmabridge p-1079 PubChem CID: 2778443 IUPAC Name: 2-fluoro-4-methylbenzonitrile SMILES: CC1=CC=C(C#N)C(F)=C1
| PubChem CID | 2778443 |
|---|---|
| CAS | 85070-67-3 |
| Molecular Weight (g/mol) | 135.14 |
| MDL Number | MFCD03094311 |
| SMILES | CC1=CC=C(C#N)C(F)=C1 |
| Synonym | 4-cyano-3-fluorotoluene,2-fluoro-4-methylbenzenecarbonitrile,2-fluoro-4-methyl-benzonitrile,benzonitrile, 2-fluoro-4-methyl,pubchem1555,2-fluoro-p-tolunitrile,acmc-209q3w,ksc494e6d,4-methyl-2-fluorobenzonitrile,pharmabridge p-1079 |
| IUPAC Name | 2-fluoro-4-methylbenzonitrile |
| InChI Key | WCGNLBCJPBKXCN-UHFFFAOYSA-N |
| Molecular Formula | C8H6FN |
Amyl 4-Hydroxybenzoate 98.0+%, TCI America™
CAS: 6521-29-5 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.26 MDL Number: MFCD00016479 InChI Key: ZNSSPLQZSUWFJT-UHFFFAOYSA-N PubChem CID: 23019 IUPAC Name: pentyl 4-hydroxybenzoate SMILES: CCCCCOC(=O)C1=CC=C(O)C=C1
| PubChem CID | 23019 |
|---|---|
| CAS | 6521-29-5 |
| Molecular Weight (g/mol) | 208.26 |
| MDL Number | MFCD00016479 |
| SMILES | CCCCCOC(=O)C1=CC=C(O)C=C1 |
| IUPAC Name | pentyl 4-hydroxybenzoate |
| InChI Key | ZNSSPLQZSUWFJT-UHFFFAOYSA-N |
| Molecular Formula | C12H16O3 |
4-Nitroanisole 98.0+%, TCI America™
CAS: 100-17-4 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007327 InChI Key: BNUHAJGCKIQFGE-UHFFFAOYSA-N Synonym: 4-nitroanisole,p-nitroanisole,4-methoxynitrobenzene,p-methoxynitrobenzene,benzene, 1-methoxy-4-nitro,nitroanisole,p-nitroanisol,anisole, p-nitro,4-nitrophenyl methyl ether,unii-g989z7wolh PubChem CID: 7485 ChEBI: CHEBI:1911 IUPAC Name: 1-methoxy-4-nitrobenzene SMILES: COC1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 7485 |
|---|---|
| CAS | 100-17-4 |
| Molecular Weight (g/mol) | 153.14 |
| ChEBI | CHEBI:1911 |
| MDL Number | MFCD00007327 |
| SMILES | COC1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | 4-nitroanisole,p-nitroanisole,4-methoxynitrobenzene,p-methoxynitrobenzene,benzene, 1-methoxy-4-nitro,nitroanisole,p-nitroanisol,anisole, p-nitro,4-nitrophenyl methyl ether,unii-g989z7wolh |
| IUPAC Name | 1-methoxy-4-nitrobenzene |
| InChI Key | BNUHAJGCKIQFGE-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
4-Bromo-2,6-difluorobenzyl Alcohol 98.0+%, TCI America™
CAS: 162744-59-4 Molecular Formula: C7H5BrF2O Molecular Weight (g/mol): 223.017 MDL Number: MFCD03094461 InChI Key: LSRHFWSNUFIKER-UHFFFAOYSA-N Synonym: 4-bromo-2,6-difluorobenzyl alcohol,4-bromo-2,6-difluorophenyl methanol,4-bromo-2,6-difluorobenzylalcohol,benzenemethanol, 4-bromo-2,6-difluoro,4-bromo-2,6-difluoro-benzenemethanol,2,6-difluoro-4-bromobenzyl alcohol,4-bromo-2,6-difluoro-phenyl methanol,2,6-difluoro-4-bromo benzyl alcohol,pubchem4882,acmc-209dox PubChem CID: 2773303 IUPAC Name: (4-bromo-2,6-difluorophenyl)methanol SMILES: C1=C(C=C(C(=C1F)CO)F)Br
| PubChem CID | 2773303 |
|---|---|
| CAS | 162744-59-4 |
| Molecular Weight (g/mol) | 223.017 |
| MDL Number | MFCD03094461 |
| SMILES | C1=C(C=C(C(=C1F)CO)F)Br |
| Synonym | 4-bromo-2,6-difluorobenzyl alcohol,4-bromo-2,6-difluorophenyl methanol,4-bromo-2,6-difluorobenzylalcohol,benzenemethanol, 4-bromo-2,6-difluoro,4-bromo-2,6-difluoro-benzenemethanol,2,6-difluoro-4-bromobenzyl alcohol,4-bromo-2,6-difluoro-phenyl methanol,2,6-difluoro-4-bromo benzyl alcohol,pubchem4882,acmc-209dox |
| IUPAC Name | (4-bromo-2,6-difluorophenyl)methanol |
| InChI Key | LSRHFWSNUFIKER-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrF2O |
[(R)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl]ruthenium(II) Dichloride, TCI America™
CAS: 132071-87-5 Molecular Formula: C44H32Cl2P2Ru Molecular Weight (g/mol): 794.66 MDL Number: MFCD01073794 InChI Key: YEKBVMDAGDTOQB-UHFFFAOYSA-L Synonym: Dichloro[(R)-2,2′C-bis(diphenylphosphino)-1,1′C-binaphthyl]ruthenium(II) PubChem CID: 11136527 IUPAC Name: [2'-(diphenylphosphanyl)-[1,1'-binaphthalen]-2-yl]diphenylphosphane; dichlororuthenium SMILES: Cl[Ru]Cl.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=C2C=CC=CC2=C1C1=C2C=CC=CC2=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 11136527 |
|---|---|
| CAS | 132071-87-5 |
| Molecular Weight (g/mol) | 794.66 |
| MDL Number | MFCD01073794 |
| SMILES | Cl[Ru]Cl.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=C2C=CC=CC2=C1C1=C2C=CC=CC2=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | Dichloro[(R)-2,2′C-bis(diphenylphosphino)-1,1′C-binaphthyl]ruthenium(II) |
| IUPAC Name | [2'-(diphenylphosphanyl)-[1,1'-binaphthalen]-2-yl]diphenylphosphane; dichlororuthenium |
| InChI Key | YEKBVMDAGDTOQB-UHFFFAOYSA-L |
| Molecular Formula | C44H32Cl2P2Ru |
2,2-Bis(4-chlorophenyl)-1,1-dichloroethane 98.0+%, TCI America™
CAS: 72-54-8 Molecular Formula: C14H10Cl4 Molecular Weight (g/mol): 320.034 MDL Number: MFCD00000851 InChI Key: AHJKRLASYNVKDZ-UHFFFAOYSA-N Synonym: p,p'-ddd,rhothane,dilene,tetrachlorodiphenylethane,dichlorodiphenyldichloroethane,p,p'-tde,rothane,rhothane d-3,4,4'-ddd,1,1-dichloro-2,2-bis p-chlorophenyl ethane PubChem CID: 6294 ChEBI: CHEBI:27841 IUPAC Name: 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl
| PubChem CID | 6294 |
|---|---|
| CAS | 72-54-8 |
| Molecular Weight (g/mol) | 320.034 |
| ChEBI | CHEBI:27841 |
| MDL Number | MFCD00000851 |
| SMILES | C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl |
| Synonym | p,p'-ddd,rhothane,dilene,tetrachlorodiphenylethane,dichlorodiphenyldichloroethane,p,p'-tde,rothane,rhothane d-3,4,4'-ddd,1,1-dichloro-2,2-bis p-chlorophenyl ethane |
| IUPAC Name | 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene |
| InChI Key | AHJKRLASYNVKDZ-UHFFFAOYSA-N |
| Molecular Formula | C14H10Cl4 |
Methyl 3,5-Di-tert-butylbenzoate 98.0+%, TCI America™
CAS: 64277-87-8 Molecular Formula: C16H24O2 Molecular Weight (g/mol): 248.37 MDL Number: MFCD03844786 InChI Key: ZEIOQJMJXFVPOG-UHFFFAOYSA-N Synonym: 3,5-Di-tert-butylbenzoic Acid Methyl Ester PubChem CID: 13267559 IUPAC Name: methyl 3,5-di-tert-butylbenzoate SMILES: COC(=O)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C
| PubChem CID | 13267559 |
|---|---|
| CAS | 64277-87-8 |
| Molecular Weight (g/mol) | 248.37 |
| MDL Number | MFCD03844786 |
| SMILES | COC(=O)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C |
| Synonym | 3,5-Di-tert-butylbenzoic Acid Methyl Ester |
| IUPAC Name | methyl 3,5-di-tert-butylbenzoate |
| InChI Key | ZEIOQJMJXFVPOG-UHFFFAOYSA-N |
| Molecular Formula | C16H24O2 |
2-Bromo-3-nitrotoluene 98.0+%, TCI America™
CAS: 41085-43-2 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.03 MDL Number: MFCD00134555 InChI Key: GCAAVRIWNMTOKB-UHFFFAOYSA-N Synonym: 2-bromo-3-nitrotoluene,2-bromo-3-methylnitrobenzen,2-bromo-3-methylnitrobenzene,benzene, 2-bromo-1-methyl-3-nitro,2-bromo-1-methyl-3-nitro-benzene,2-brom-1-methyl-3-nitrobenzol,pubchem4531,acmc-1ajt4,ksc493s8t PubChem CID: 231828 IUPAC Name: 2-bromo-1-methyl-3-nitrobenzene SMILES: CC1=CC=CC(=C1Br)[N+]([O-])=O
| PubChem CID | 231828 |
|---|---|
| CAS | 41085-43-2 |
| Molecular Weight (g/mol) | 216.03 |
| MDL Number | MFCD00134555 |
| SMILES | CC1=CC=CC(=C1Br)[N+]([O-])=O |
| Synonym | 2-bromo-3-nitrotoluene,2-bromo-3-methylnitrobenzen,2-bromo-3-methylnitrobenzene,benzene, 2-bromo-1-methyl-3-nitro,2-bromo-1-methyl-3-nitro-benzene,2-brom-1-methyl-3-nitrobenzol,pubchem4531,acmc-1ajt4,ksc493s8t |
| IUPAC Name | 2-bromo-1-methyl-3-nitrobenzene |
| InChI Key | GCAAVRIWNMTOKB-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO2 |
RuCl2[(R)-dm-segphos(regR)][(R)-daipen], TCI America™
CAS: 944450-43-5 Molecular Formula: C65H70Cl2N2O6P2Ru Molecular Weight (g/mol): 1209.201 MDL Number: MFCD10567024 InChI Key: UDSABKQFPIPYOT-OEGAAENXSA-L PubChem CID: 71310545 IUPAC Name: [4-[5-bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;(2R)-1,1-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine;dichlororuthenium 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.CC(C)C(C(C1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)N)N.Cl[Ru]Cl
| PubChem CID | 71310545 |
|---|---|
| CAS | 944450-43-5 |
| Molecular Weight (g/mol) | 1209.201 |
| MDL Number | MFCD10567024 |
| 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.CC(C)C(C(C1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)N)N.Cl[Ru]Cl |
| IUPAC Name | [4-[5-bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;(2R)-1,1-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine;dichlororuthenium |
| InChI Key | UDSABKQFPIPYOT-OEGAAENXSA-L |
| Molecular Formula | C65H70Cl2N2O6P2Ru |
3-Bromo-4-methylbenzaldehyde 96.0+%, TCI America™
CAS: 36276-24-1 Molecular Formula: C8H7BrO Molecular Weight (g/mol): 199.047 MDL Number: MFCD04971197 InChI Key: WTXXUAHMTVAQHW-UHFFFAOYSA-N PubChem CID: 816765 IUPAC Name: 3-bromo-4-methylbenzaldehyde SMILES: CC1=C(C=C(C=C1)C=O)Br
| PubChem CID | 816765 |
|---|---|
| CAS | 36276-24-1 |
| Molecular Weight (g/mol) | 199.047 |
| MDL Number | MFCD04971197 |
| SMILES | CC1=C(C=C(C=C1)C=O)Br |
| IUPAC Name | 3-bromo-4-methylbenzaldehyde |
| InChI Key | WTXXUAHMTVAQHW-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO |