Benzene and substituted derivatives
Filtered Search Results
4-Pentylbenzoic acid, 97%, Thermo Scientific™
CAS: 26311-45-5 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.258 MDL Number: MFCD00002572 InChI Key: CWYNKKGQJYAHQG-UHFFFAOYSA-N Synonym: benzoic acid, 4-pentyl,4-n-pentylbenzoic acid,p-pentylbenzoic acid,4-amylbenzoic acid,p-amylbenzoic acid,para-pentylbenzoic acid,benzoic acid, p-pentyl,4-pentyl benzoic acid,p-n-pentylbenzoic acid,4-pentylbenzoicacid PubChem CID: 33479 IUPAC Name: 4-pentylbenzoic acid SMILES: CCCCCC1=CC=C(C=C1)C(=O)O
| PubChem CID | 33479 |
|---|---|
| CAS | 26311-45-5 |
| Molecular Weight (g/mol) | 192.258 |
| MDL Number | MFCD00002572 |
| SMILES | CCCCCC1=CC=C(C=C1)C(=O)O |
| Synonym | benzoic acid, 4-pentyl,4-n-pentylbenzoic acid,p-pentylbenzoic acid,4-amylbenzoic acid,p-amylbenzoic acid,para-pentylbenzoic acid,benzoic acid, p-pentyl,4-pentyl benzoic acid,p-n-pentylbenzoic acid,4-pentylbenzoicacid |
| IUPAC Name | 4-pentylbenzoic acid |
| InChI Key | CWYNKKGQJYAHQG-UHFFFAOYSA-N |
| Molecular Formula | C12H16O2 |
1,3-Di-tert-butyl-2-methoxybenzene, 99%
CAS: 1516-95-6 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.36 MDL Number: MFCD20483412 InChI Key: OGIJRUWUWSZKAV-UHFFFAOYSA-N Synonym: 1,3-di-tert-butyl-2-methoxybenzene,benzene, 1,3-bis 1,1-dimethylethyl-2-methoxy,2,6-di-tert-butylanisole PubChem CID: 12794694 IUPAC Name: 1,3-ditert-butyl-2-methoxybenzene SMILES: COC1=C(C=CC=C1C(C)(C)C)C(C)(C)C
| PubChem CID | 12794694 |
|---|---|
| CAS | 1516-95-6 |
| Molecular Weight (g/mol) | 220.36 |
| MDL Number | MFCD20483412 |
| SMILES | COC1=C(C=CC=C1C(C)(C)C)C(C)(C)C |
| Synonym | 1,3-di-tert-butyl-2-methoxybenzene,benzene, 1,3-bis 1,1-dimethylethyl-2-methoxy,2,6-di-tert-butylanisole |
| IUPAC Name | 1,3-ditert-butyl-2-methoxybenzene |
| InChI Key | OGIJRUWUWSZKAV-UHFFFAOYSA-N |
| Molecular Formula | C15H24O |
5-Bromo-2-[3-(chloromethyl)phenyl]pyrimidine, 97%, Thermo Scientific™
CAS: 1100598-50-2 Molecular Formula: C11H8BrClN2 Molecular Weight (g/mol): 283.553 MDL Number: MFCD20527211 InChI Key: KHSZEUJOVUJWKR-UHFFFAOYSA-N Synonym: 5-bromo-2-3-chloromethyl phenyl pyrimidine,5-bromo-2-3-chloromethylphenyl pyrimidine,5-bromo-2-3-chloromethyl-phenyl-pyrimidine,pyrimidine, 5-bromo-2-3-chloromethyl phenyl PubChem CID: 59438047 IUPAC Name: 5-bromo-2-[3-(chloromethyl)phenyl]pyrimidine SMILES: C1=CC(=CC(=C1)CCl)C2=NC=C(C=N2)Br
| PubChem CID | 59438047 |
|---|---|
| CAS | 1100598-50-2 |
| Molecular Weight (g/mol) | 283.553 |
| MDL Number | MFCD20527211 |
| SMILES | C1=CC(=CC(=C1)CCl)C2=NC=C(C=N2)Br |
| Synonym | 5-bromo-2-3-chloromethyl phenyl pyrimidine,5-bromo-2-3-chloromethylphenyl pyrimidine,5-bromo-2-3-chloromethyl-phenyl-pyrimidine,pyrimidine, 5-bromo-2-3-chloromethyl phenyl |
| IUPAC Name | 5-bromo-2-[3-(chloromethyl)phenyl]pyrimidine |
| InChI Key | KHSZEUJOVUJWKR-UHFFFAOYSA-N |
| Molecular Formula | C11H8BrClN2 |
3-Ethoxy-2,4-difluorobenzoic acid, 97%
CAS: 1017779-88-2 Molecular Formula: C9H8F2O3 Molecular Weight (g/mol): 202.157 MDL Number: MFCD09258723 InChI Key: KUOUFQUWQYELBO-UHFFFAOYSA-N Synonym: 3-ethoxy-2,4-difluorobenzoic acid, jrd PubChem CID: 46737640 IUPAC Name: 3-ethoxy-2,4-difluorobenzoic acid SMILES: CCOC1=C(C=CC(=C1F)C(=O)O)F
| PubChem CID | 46737640 |
|---|---|
| CAS | 1017779-88-2 |
| Molecular Weight (g/mol) | 202.157 |
| MDL Number | MFCD09258723 |
| SMILES | CCOC1=C(C=CC(=C1F)C(=O)O)F |
| Synonym | 3-ethoxy-2,4-difluorobenzoic acid, jrd |
| IUPAC Name | 3-ethoxy-2,4-difluorobenzoic acid |
| InChI Key | KUOUFQUWQYELBO-UHFFFAOYSA-N |
| Molecular Formula | C9H8F2O3 |
3-Chloro-4-fluorophenyl isocyanate, 98%
CAS: 50529-33-4 Molecular Formula: C7H3ClFNO Molecular Weight (g/mol): 171.555 MDL Number: MFCD00037037 InChI Key: XVIPJBUXMFLHSI-UHFFFAOYSA-N Synonym: 3-chloro-4-fluorophenyl isocyanate,3-chloro-4-fluorophenylisocyanate,benzene, 2-chloro-1-fluoro-4-isocyanato,3-chloro-4-fluorobenzenisocyanate,pubchem5024,acmc-20an6r,3-chloro-4-fluoro-phenylisocyanate,3-chloro-4-fluorophenyl-isocyanate,3-chloro-4-fluoro phenyl isocyanate PubChem CID: 2734632 IUPAC Name: 2-chloro-1-fluoro-4-isocyanatobenzene SMILES: C1=CC(=C(C=C1N=C=O)Cl)F
| PubChem CID | 2734632 |
|---|---|
| CAS | 50529-33-4 |
| Molecular Weight (g/mol) | 171.555 |
| MDL Number | MFCD00037037 |
| SMILES | C1=CC(=C(C=C1N=C=O)Cl)F |
| Synonym | 3-chloro-4-fluorophenyl isocyanate,3-chloro-4-fluorophenylisocyanate,benzene, 2-chloro-1-fluoro-4-isocyanato,3-chloro-4-fluorobenzenisocyanate,pubchem5024,acmc-20an6r,3-chloro-4-fluoro-phenylisocyanate,3-chloro-4-fluorophenyl-isocyanate,3-chloro-4-fluoro phenyl isocyanate |
| IUPAC Name | 2-chloro-1-fluoro-4-isocyanatobenzene |
| InChI Key | XVIPJBUXMFLHSI-UHFFFAOYSA-N |
| Molecular Formula | C7H3ClFNO |
4-Vinylphenol, min 10% soln. in propylene glycol
CAS: 2628-17-3 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.151 MDL Number: MFCD00017593 InChI Key: FUGYGGDSWSUORM-UHFFFAOYSA-N Synonym: 4-vinylphenol,4-hydroxystyrene,p-vinylphenol,p-hydroxystyrene,phenol, 4-ethenyl,4-vinylphenol, 10 wt.% in propylene glycol,phenol, p-vinyl,unii-oa7v1sm8yl,fema no. 3739,poly 4-hydroxystyrene PubChem CID: 62453 ChEBI: CHEBI:1883 IUPAC Name: 4-ethenylphenol SMILES: C=CC1=CC=C(C=C1)O
| PubChem CID | 62453 |
|---|---|
| CAS | 2628-17-3 |
| Molecular Weight (g/mol) | 120.151 |
| ChEBI | CHEBI:1883 |
| MDL Number | MFCD00017593 |
| SMILES | C=CC1=CC=C(C=C1)O |
| Synonym | 4-vinylphenol,4-hydroxystyrene,p-vinylphenol,p-hydroxystyrene,phenol, 4-ethenyl,4-vinylphenol, 10 wt.% in propylene glycol,phenol, p-vinyl,unii-oa7v1sm8yl,fema no. 3739,poly 4-hydroxystyrene |
| IUPAC Name | 4-ethenylphenol |
| InChI Key | FUGYGGDSWSUORM-UHFFFAOYSA-N |
| Molecular Formula | C8H8O |
3,3-Diphenylpropionic acid, 97%
CAS: 606-83-7 Molecular Formula: C15H14O2 Molecular Weight (g/mol): 226.28 MDL Number: MFCD00002717 InChI Key: BZQGAPWJKAYCHR-UHFFFAOYSA-N Synonym: 3,3-diphenylpropionic acid,benzenepropanoic acid, .beta.-phenyl,3,3-diphenyl-propionic acid,propionic acid, 3,3-diphenyl,.beta.-phenylbenzenepropanoic acid,beta,beta-diphenylpropionic acid,hydrocinnamic acid, .beta.-phenyl,beta-phenylbenzenepropanoic acid,hydrocinnamic acid, beta-phenyl,pubchem13618 PubChem CID: 64798 IUPAC Name: 3,3-diphenylpropanoic acid SMILES: OC(=O)CC(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 64798 |
|---|---|
| CAS | 606-83-7 |
| Molecular Weight (g/mol) | 226.28 |
| MDL Number | MFCD00002717 |
| SMILES | OC(=O)CC(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 3,3-diphenylpropionic acid,benzenepropanoic acid, .beta.-phenyl,3,3-diphenyl-propionic acid,propionic acid, 3,3-diphenyl,.beta.-phenylbenzenepropanoic acid,beta,beta-diphenylpropionic acid,hydrocinnamic acid, .beta.-phenyl,beta-phenylbenzenepropanoic acid,hydrocinnamic acid, beta-phenyl,pubchem13618 |
| IUPAC Name | 3,3-diphenylpropanoic acid |
| InChI Key | BZQGAPWJKAYCHR-UHFFFAOYSA-N |
| Molecular Formula | C15H14O2 |
Tris(pentafluorophenyl)phosphine, 97%
CAS: 1259-35-4 Molecular Formula: C18F15P Molecular Weight (g/mol): 532.15 MDL Number: MFCD00079654 InChI Key: FQLSDFNKTNBQLC-UHFFFAOYSA-N Synonym: tris pentafluorophenyl phosphine,phosphine, tris pentafluorophenyl,tris perfluorophenyl phosphine,tris pentafluorophenyl phosphane,tris 2,3,4,5,6-pentafluorophenyl phosphane,pubchem6422,acmc-1bogg,ksc491k1f,tris-pentafluorophenyl-phosphane PubChem CID: 102076 IUPAC Name: tris(2,3,4,5,6-pentafluorophenyl)phosphane SMILES: FC1=C(F)C(F)=C(P(C2=C(F)C(F)=C(F)C(F)=C2F)C2=C(F)C(F)=C(F)C(F)=C2F)C(F)=C1F
| PubChem CID | 102076 |
|---|---|
| CAS | 1259-35-4 |
| Molecular Weight (g/mol) | 532.15 |
| MDL Number | MFCD00079654 |
| SMILES | FC1=C(F)C(F)=C(P(C2=C(F)C(F)=C(F)C(F)=C2F)C2=C(F)C(F)=C(F)C(F)=C2F)C(F)=C1F |
| Synonym | tris pentafluorophenyl phosphine,phosphine, tris pentafluorophenyl,tris perfluorophenyl phosphine,tris pentafluorophenyl phosphane,tris 2,3,4,5,6-pentafluorophenyl phosphane,pubchem6422,acmc-1bogg,ksc491k1f,tris-pentafluorophenyl-phosphane |
| IUPAC Name | tris(2,3,4,5,6-pentafluorophenyl)phosphane |
| InChI Key | FQLSDFNKTNBQLC-UHFFFAOYSA-N |
| Molecular Formula | C18F15P |
4-Methoxybenzenesulfonamide, 95%
CAS: 1129-26-6 MDL Number: MFCD00025392 InChI Key: MSFQEZBRFPAFEX-UHFFFAOYSA-N Synonym: 4-methoxybenzenesulphonamide,p-methoxybenzenesulfonamide,4-methoxybenzene-1-sulfonamide,benzenesulfonamide, 4-methoxy,4-methoxy-benzenesulfonamide,benzenesulfonamide, p-methoxy,benzenesulfonamide, p-methoxy-6ci,7ci,8ci,3lka,p-anisolesulfonamide,acmc-1bvgf PubChem CID: 70789 IUPAC Name: 4-methoxybenzenesulfonamide SMILES: COC1=CC=C(C=C1)S(=O)(=O)N
| PubChem CID | 70789 |
|---|---|
| CAS | 1129-26-6 |
| MDL Number | MFCD00025392 |
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)N |
| Synonym | 4-methoxybenzenesulphonamide,p-methoxybenzenesulfonamide,4-methoxybenzene-1-sulfonamide,benzenesulfonamide, 4-methoxy,4-methoxy-benzenesulfonamide,benzenesulfonamide, p-methoxy,benzenesulfonamide, p-methoxy-6ci,7ci,8ci,3lka,p-anisolesulfonamide,acmc-1bvgf |
| IUPAC Name | 4-methoxybenzenesulfonamide |
| InChI Key | MSFQEZBRFPAFEX-UHFFFAOYSA-N |
3-Iodobenzaldehyde, 99%
CAS: 696-41-3 Molecular Formula: C7H5IO Molecular Weight (g/mol): 232.02 MDL Number: MFCD00039573 InChI Key: RZODAQZAFOBFLS-UHFFFAOYSA-N Synonym: 3-iodo-benzaldehyde,3-iodbenzaldehyd,benzaldehyde, 3-iodo,3-iodo benzaldehyde,3-iodanylbenzaldehyde,pubchem3917,acmc-1atsd,1-formyl-3-iodobenzene,m-iodobenzaldehyde,3-iodobenzaldehyde PubChem CID: 252610 IUPAC Name: 3-iodobenzaldehyde SMILES: C1=CC(=CC(=C1)I)C=O
| PubChem CID | 252610 |
|---|---|
| CAS | 696-41-3 |
| Molecular Weight (g/mol) | 232.02 |
| MDL Number | MFCD00039573 |
| SMILES | C1=CC(=CC(=C1)I)C=O |
| Synonym | 3-iodo-benzaldehyde,3-iodbenzaldehyd,benzaldehyde, 3-iodo,3-iodo benzaldehyde,3-iodanylbenzaldehyde,pubchem3917,acmc-1atsd,1-formyl-3-iodobenzene,m-iodobenzaldehyde,3-iodobenzaldehyde |
| IUPAC Name | 3-iodobenzaldehyde |
| InChI Key | RZODAQZAFOBFLS-UHFFFAOYSA-N |
| Molecular Formula | C7H5IO |
Amorolfine hydrochloride, 98%
CAS: 78613-38-4 Molecular Formula: C21H35NO·HCl Molecular Weight (g/mol): 353.97 InChI Key: XZKWIPVTHGWDCF-KUZYQSSXSA-N Synonym: amorolfine hydrochloride,amorolfine hcl,loceryl,curanail,locetar,odenil,amorolfin,pekiron,amorolfine hydrochloride jan PubChem CID: 54259 ChEBI: CHEBI:59649 IUPAC Name: (2R,6S)-2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine;hydrochloride SMILES: CCC(C)(C)C1=CC=C(C=C1)CC(C)CN2CC(OC(C2)C)C.Cl
| PubChem CID | 54259 |
|---|---|
| CAS | 78613-38-4 |
| Molecular Weight (g/mol) | 353.97 |
| ChEBI | CHEBI:59649 |
| SMILES | CCC(C)(C)C1=CC=C(C=C1)CC(C)CN2CC(OC(C2)C)C.Cl |
| Synonym | amorolfine hydrochloride,amorolfine hcl,loceryl,curanail,locetar,odenil,amorolfin,pekiron,amorolfine hydrochloride jan |
| IUPAC Name | (2R,6S)-2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine;hydrochloride |
| InChI Key | XZKWIPVTHGWDCF-KUZYQSSXSA-N |
| Molecular Formula | C21H35NO·HCl |
4-Bromo-4'-iodobiphenyl, 98%
CAS: 105946-82-5 Molecular Formula: C12H8BrI Molecular Weight (g/mol): 359.004 MDL Number: MFCD17676204 InChI Key: GWOAJJWBCSUGHH-UHFFFAOYSA-N Synonym: 4-bromo-4'-iodobiphenyl,4-bromo-4'-iodo-1,1'-biphenyl,1,1'-biphenyl, 4-bromo-4'-iodo,1-bromo-4-4-iodophenyl benzene,4'-bromo-4-iodobiphenyl,4-iodo-4'-bromobiphenyl,4-bromo-4'-iodo-biphenyl,4-bromo-4/'-iodobiphenyl,ksc164g2f PubChem CID: 10904452 IUPAC Name: 1-bromo-4-(4-iodophenyl)benzene SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)I)Br
| PubChem CID | 10904452 |
|---|---|
| CAS | 105946-82-5 |
| Molecular Weight (g/mol) | 359.004 |
| MDL Number | MFCD17676204 |
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)I)Br |
| Synonym | 4-bromo-4'-iodobiphenyl,4-bromo-4'-iodo-1,1'-biphenyl,1,1'-biphenyl, 4-bromo-4'-iodo,1-bromo-4-4-iodophenyl benzene,4'-bromo-4-iodobiphenyl,4-iodo-4'-bromobiphenyl,4-bromo-4'-iodo-biphenyl,4-bromo-4/'-iodobiphenyl,ksc164g2f |
| IUPAC Name | 1-bromo-4-(4-iodophenyl)benzene |
| InChI Key | GWOAJJWBCSUGHH-UHFFFAOYSA-N |
| Molecular Formula | C12H8BrI |
4-Fluorobenzonitrile, 99%
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 |
Potassium 4-iodophenyltrifluoroborate, 96%
CAS: 912350-00-6 Molecular Formula: C6H4BF3IK Molecular Weight (g/mol): 309.906 MDL Number: MFCD09800738 InChI Key: WTXNSBOVCAXUGV-UHFFFAOYSA-N Synonym: potassium 4-iodophenyltrifluoroborate,potassium trifluoro 4-iodophenyl boranuide,amtb080,potassium trifluoro 4-iodophenyl borate 1- PubChem CID: 23688160 IUPAC Name: potassium;trifluoro-(4-iodophenyl)boranuide SMILES: [B-](C1=CC=C(C=C1)I)(F)(F)F.[K+]
| PubChem CID | 23688160 |
|---|---|
| CAS | 912350-00-6 |
| Molecular Weight (g/mol) | 309.906 |
| MDL Number | MFCD09800738 |
| SMILES | [B-](C1=CC=C(C=C1)I)(F)(F)F.[K+] |
| Synonym | potassium 4-iodophenyltrifluoroborate,potassium trifluoro 4-iodophenyl boranuide,amtb080,potassium trifluoro 4-iodophenyl borate 1- |
| IUPAC Name | potassium;trifluoro-(4-iodophenyl)boranuide |
| InChI Key | WTXNSBOVCAXUGV-UHFFFAOYSA-N |
| Molecular Formula | C6H4BF3IK |
2,4,6-Trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide, Thermo Scientific Chemicals
CAS: 313981-55-4 Molecular Formula: C16H16F3NO2S Molecular Weight (g/mol): 343.36 MDL Number: MFCD00784362 InChI Key: SKJJIFRWCCSXGL-UHFFFAOYSA-N Synonym: o-3m3fbs,2,4,6-trimethyl-n-2-trifluoromethyl phenyl benzenesulfonamide,tocris-1942,benzenesulfonamide,2,4,6-trimethyl-n-2-trifluoromethyl phenyl PubChem CID: 770820 IUPAC Name: 2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide SMILES: CC1=CC(C)=C(C(C)=C1)S(=O)(=O)NC1=CC=CC=C1C(F)(F)F
| PubChem CID | 770820 |
|---|---|
| CAS | 313981-55-4 |
| Molecular Weight (g/mol) | 343.36 |
| MDL Number | MFCD00784362 |
| SMILES | CC1=CC(C)=C(C(C)=C1)S(=O)(=O)NC1=CC=CC=C1C(F)(F)F |
| Synonym | o-3m3fbs,2,4,6-trimethyl-n-2-trifluoromethyl phenyl benzenesulfonamide,tocris-1942,benzenesulfonamide,2,4,6-trimethyl-n-2-trifluoromethyl phenyl |
| IUPAC Name | 2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide |
| InChI Key | SKJJIFRWCCSXGL-UHFFFAOYSA-N |
| Molecular Formula | C16H16F3NO2S |