Benzene and substituted derivatives
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4-Bromobenzyl Bromide 98.0+%, TCI America™
CAS: 589-15-1 Molecular Formula: C7H6Br2 Molecular Weight (g/mol): 249.933 MDL Number: MFCD00000179 InChI Key: YLRBJYMANQKEAW-UHFFFAOYSA-N Synonym: 4-bromobenzyl bromide,1-bromo-4-bromomethyl benzene,p-bromobenzyl bromide,alpha,p-dibromotoluene,alpha,4-dibromotoluene,benzene, 1-bromo-4-bromomethyl,4-bromobenzylbromide,unii-3d1ttl8bgn,a,p-dibromotoluene,4-bromo benzyl bromide PubChem CID: 68527 IUPAC Name: 1-bromo-4-(bromomethyl)benzene SMILES: C1=CC(=CC=C1CBr)Br
| PubChem CID | 68527 |
|---|---|
| CAS | 589-15-1 |
| Molecular Weight (g/mol) | 249.933 |
| MDL Number | MFCD00000179 |
| SMILES | C1=CC(=CC=C1CBr)Br |
| Synonym | 4-bromobenzyl bromide,1-bromo-4-bromomethyl benzene,p-bromobenzyl bromide,alpha,p-dibromotoluene,alpha,4-dibromotoluene,benzene, 1-bromo-4-bromomethyl,4-bromobenzylbromide,unii-3d1ttl8bgn,a,p-dibromotoluene,4-bromo benzyl bromide |
| IUPAC Name | 1-bromo-4-(bromomethyl)benzene |
| InChI Key | YLRBJYMANQKEAW-UHFFFAOYSA-N |
| Molecular Formula | C7H6Br2 |
3-Benzyloxyphenylacetic Acid 98.0+%, TCI America™
CAS: 1860-58-8 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.27 MDL Number: MFCD02664806 InChI Key: LLZKAZNUCYYBQO-UHFFFAOYSA-N Synonym: 2-3-benzyloxy phenyl acetic acid,3-benzyloxyphenylacetic acid,3-benzyloxy-phenyl-acetic acid,3-benzyloxyphenyl acetic acid,3-benzyloxy phenyl acetic acid,2-3-phenylmethoxyphenyl acetic acid,2-3-phenylmethoxy phenyl acetic acid,acmc-1bpe0,3-benzyloxybenzeneacetic acid PubChem CID: 4592030 IUPAC Name: 2-[3-(benzyloxy)phenyl]acetic acid SMILES: OC(=O)CC1=CC(OCC2=CC=CC=C2)=CC=C1
| PubChem CID | 4592030 |
|---|---|
| CAS | 1860-58-8 |
| Molecular Weight (g/mol) | 242.27 |
| MDL Number | MFCD02664806 |
| SMILES | OC(=O)CC1=CC(OCC2=CC=CC=C2)=CC=C1 |
| Synonym | 2-3-benzyloxy phenyl acetic acid,3-benzyloxyphenylacetic acid,3-benzyloxy-phenyl-acetic acid,3-benzyloxyphenyl acetic acid,3-benzyloxy phenyl acetic acid,2-3-phenylmethoxyphenyl acetic acid,2-3-phenylmethoxy phenyl acetic acid,acmc-1bpe0,3-benzyloxybenzeneacetic acid |
| IUPAC Name | 2-[3-(benzyloxy)phenyl]acetic acid |
| InChI Key | LLZKAZNUCYYBQO-UHFFFAOYSA-N |
| Molecular Formula | C15H14O3 |
Tris(4-methoxyphenyl)phosphine 97.0+%, TCI America™
CAS: 855-38-9 Molecular Formula: C21H21O3P Molecular Weight (g/mol): 352.37 MDL Number: MFCD00014896 InChI Key: UYUUAUOYLFIRJG-UHFFFAOYSA-N Synonym: tris 4-methoxyphenyl phosphine,trianisylphosphine,tris p-anisyl phosphine,phosphine, tris 4-methoxyphenyl,tri-p-anisylphosphine,tris p-methoxyphenyl phosphine,tris 4-methoxyphenyl phosphane,phosphine, tris p-methoxyphenyl,tri 4-methoxyphenyl phosphine,tri p-methoxyphenyl phosphine PubChem CID: 70071 IUPAC Name: tris(4-methoxyphenyl)phosphane SMILES: COC1=CC=C(C=C1)P(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
| PubChem CID | 70071 |
|---|---|
| CAS | 855-38-9 |
| Molecular Weight (g/mol) | 352.37 |
| MDL Number | MFCD00014896 |
| SMILES | COC1=CC=C(C=C1)P(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC |
| Synonym | tris 4-methoxyphenyl phosphine,trianisylphosphine,tris p-anisyl phosphine,phosphine, tris 4-methoxyphenyl,tri-p-anisylphosphine,tris p-methoxyphenyl phosphine,tris 4-methoxyphenyl phosphane,phosphine, tris p-methoxyphenyl,tri 4-methoxyphenyl phosphine,tri p-methoxyphenyl phosphine |
| IUPAC Name | tris(4-methoxyphenyl)phosphane |
| InChI Key | UYUUAUOYLFIRJG-UHFFFAOYSA-N |
| Molecular Formula | C21H21O3P |
Nonyl 4-Hydroxybenzoate 98.0+%, TCI America™
CAS: 38713-56-3 Molecular Formula: C16H24O3 Molecular Weight (g/mol): 264.365 MDL Number: MFCD00016483 InChI Key: MBNSKHJDYXPONL-UHFFFAOYSA-N Synonym: 4-Hydroxybenzoic Acid Nonyl Ester, Nonylparaben PubChem CID: 586708 IUPAC Name: nonyl 4-hydroxybenzoate SMILES: CCCCCCCCCOC(=O)C1=CC=C(C=C1)O
| PubChem CID | 586708 |
|---|---|
| CAS | 38713-56-3 |
| Molecular Weight (g/mol) | 264.365 |
| MDL Number | MFCD00016483 |
| SMILES | CCCCCCCCCOC(=O)C1=CC=C(C=C1)O |
| Synonym | 4-Hydroxybenzoic Acid Nonyl Ester, Nonylparaben |
| IUPAC Name | nonyl 4-hydroxybenzoate |
| InChI Key | MBNSKHJDYXPONL-UHFFFAOYSA-N |
| Molecular Formula | C16H24O3 |
4,4″-Diiodo-p-terphenyl 98.0+%, TCI America™
CAS: 19053-14-6 Molecular Formula: C18H12I2 Molecular Weight (g/mol): 482.103 InChI Key: QGMMWGLDOBFHTL-UHFFFAOYSA-N PubChem CID: 3563583 IUPAC Name: 1,4-bis(4-iodophenyl)benzene SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)I)C3=CC=C(C=C3)I
| PubChem CID | 3563583 |
|---|---|
| CAS | 19053-14-6 |
| Molecular Weight (g/mol) | 482.103 |
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)I)C3=CC=C(C=C3)I |
| IUPAC Name | 1,4-bis(4-iodophenyl)benzene |
| InChI Key | QGMMWGLDOBFHTL-UHFFFAOYSA-N |
| Molecular Formula | C18H12I2 |
2-Iodobenzaldehyde 98.0+%, TCI America™
CAS: 26260-02-6 Molecular Formula: C7H5IO Molecular Weight (g/mol): 232.02 MDL Number: MFCD00039570 InChI Key: WWKKTHALZAYYAI-UHFFFAOYSA-N Synonym: benzaldehyde, 2-iodo,o-iodobenzaldehyde,iodobenzaldehyde,benzaldehyde,iodo,2-iodobenzenealdehyde,pubchem3914,acmc-209upi,2-iodobenzaldehyde,ksc203m8l PubChem CID: 643439 IUPAC Name: 2-iodobenzaldehyde SMILES: C1=CC=C(C(=C1)C=O)I
| PubChem CID | 643439 |
|---|---|
| CAS | 26260-02-6 |
| Molecular Weight (g/mol) | 232.02 |
| MDL Number | MFCD00039570 |
| SMILES | C1=CC=C(C(=C1)C=O)I |
| Synonym | benzaldehyde, 2-iodo,o-iodobenzaldehyde,iodobenzaldehyde,benzaldehyde,iodo,2-iodobenzenealdehyde,pubchem3914,acmc-209upi,2-iodobenzaldehyde,ksc203m8l |
| IUPAC Name | 2-iodobenzaldehyde |
| InChI Key | WWKKTHALZAYYAI-UHFFFAOYSA-N |
| Molecular Formula | C7H5IO |
1-Bromo-4-propylbenzene 97.0+%, TCI America™
CAS: 588-93-2 Molecular Formula: C9H11Br Molecular Weight (g/mol): 199.091 MDL Number: MFCD00012456 InChI Key: NUPWGLKBGVNSJX-UHFFFAOYSA-N Synonym: 1-bromo-4-n-propylbenzene,4-bromo-n-propylbenzene,1-4'-bromophenyl propane,1-bromo-4-propyl-benzene,benzene, 1-bromo-4-propyl,4-propylbromobenzene,4-propyl bromobenzene,4-n-propylbromobenzene,4-propylphenyl bromide,pubchem10762 PubChem CID: 136374 IUPAC Name: 1-bromo-4-propylbenzene SMILES: CCCC1=CC=C(C=C1)Br
| PubChem CID | 136374 |
|---|---|
| CAS | 588-93-2 |
| Molecular Weight (g/mol) | 199.091 |
| MDL Number | MFCD00012456 |
| SMILES | CCCC1=CC=C(C=C1)Br |
| Synonym | 1-bromo-4-n-propylbenzene,4-bromo-n-propylbenzene,1-4'-bromophenyl propane,1-bromo-4-propyl-benzene,benzene, 1-bromo-4-propyl,4-propylbromobenzene,4-propyl bromobenzene,4-n-propylbromobenzene,4-propylphenyl bromide,pubchem10762 |
| IUPAC Name | 1-bromo-4-propylbenzene |
| InChI Key | NUPWGLKBGVNSJX-UHFFFAOYSA-N |
| Molecular Formula | C9H11Br |
1-Iodo-2-(trifluoromethoxy)benzene 98.0+%, TCI America™
CAS: 175278-00-9 Molecular Formula: C7H4F3IO Molecular Weight (g/mol): 288.01 MDL Number: MFCD00042410 InChI Key: GYBMJVZOZTVDKS-UHFFFAOYSA-N Synonym: 1-iodo-2-trifluoromethoxy benzene,2-trifluoromethoxy iodobenzene,benzene, 1-iodo-2-trifluoromethoxy,2-iodo trifluoromethoxy benzene,o-iodotrifluoromethoxybenzene,o-trifluoromethoxy iodobenzene,alpha,alpha,alpha-trifluoro-2-iodoanisole,pubchem1077,acmc-1ca3h,ksc494o5n PubChem CID: 2777292 IUPAC Name: 1-iodo-2-(trifluoromethoxy)benzene SMILES: FC(F)(F)OC1=CC=CC=C1I
| PubChem CID | 2777292 |
|---|---|
| CAS | 175278-00-9 |
| Molecular Weight (g/mol) | 288.01 |
| MDL Number | MFCD00042410 |
| SMILES | FC(F)(F)OC1=CC=CC=C1I |
| Synonym | 1-iodo-2-trifluoromethoxy benzene,2-trifluoromethoxy iodobenzene,benzene, 1-iodo-2-trifluoromethoxy,2-iodo trifluoromethoxy benzene,o-iodotrifluoromethoxybenzene,o-trifluoromethoxy iodobenzene,alpha,alpha,alpha-trifluoro-2-iodoanisole,pubchem1077,acmc-1ca3h,ksc494o5n |
| IUPAC Name | 1-iodo-2-(trifluoromethoxy)benzene |
| InChI Key | GYBMJVZOZTVDKS-UHFFFAOYSA-N |
| Molecular Formula | C7H4F3IO |
2-Aminobenzotrifluoride 98.0+%, TCI America™
CAS: 88-17-5 Molecular Formula: C7H6F3N Molecular Weight (g/mol): 161.127 MDL Number: MFCD00007718 InChI Key: VBLXCTYLWZJBKA-UHFFFAOYSA-N Synonym: 2-trifluoromethyl aniline,2-aminobenzotrifluoride,o-aminobenzotrifluoride,o-trifluoromethyl aniline,o-trifluoromethylaniline,benzenamine, 2-trifluoromethyl,2-trifluoromethyl benzenamine,alpha,alpha,alpha-trifluoro-o-toluidine,2-aminotrifluorotoluene,2-aminotrifluoromethylbenzene PubChem CID: 6922 IUPAC Name: 2-(trifluoromethyl)aniline SMILES: C1=CC=C(C(=C1)C(F)(F)F)N
| PubChem CID | 6922 |
|---|---|
| CAS | 88-17-5 |
| Molecular Weight (g/mol) | 161.127 |
| MDL Number | MFCD00007718 |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)N |
| Synonym | 2-trifluoromethyl aniline,2-aminobenzotrifluoride,o-aminobenzotrifluoride,o-trifluoromethyl aniline,o-trifluoromethylaniline,benzenamine, 2-trifluoromethyl,2-trifluoromethyl benzenamine,alpha,alpha,alpha-trifluoro-o-toluidine,2-aminotrifluorotoluene,2-aminotrifluoromethylbenzene |
| IUPAC Name | 2-(trifluoromethyl)aniline |
| InChI Key | VBLXCTYLWZJBKA-UHFFFAOYSA-N |
| Molecular Formula | C7H6F3N |
4-Benzylthiomorpholine 1,1-Dioxide 98.0+%, TCI America™
CAS: 26475-66-1 Molecular Formula: C11H15NO2S Molecular Weight (g/mol): 225.31 MDL Number: MFCD00084894 InChI Key: KFAMTQFKYUXQKV-UHFFFAOYSA-N PubChem CID: 318454 IUPAC Name: 4-benzyl-1λ⁶-thiomorpholine-1,1-dione SMILES: O=S1(=O)CCN(CC2=CC=CC=C2)CC1
| PubChem CID | 318454 |
|---|---|
| CAS | 26475-66-1 |
| Molecular Weight (g/mol) | 225.31 |
| MDL Number | MFCD00084894 |
| SMILES | O=S1(=O)CCN(CC2=CC=CC=C2)CC1 |
| IUPAC Name | 4-benzyl-1λ⁶-thiomorpholine-1,1-dione |
| InChI Key | KFAMTQFKYUXQKV-UHFFFAOYSA-N |
| Molecular Formula | C11H15NO2S |
Diphenyl Phenylphosphonate 98.0+%, TCI America™
CAS: 3049-24-9 Molecular Formula: C18H15O3P Molecular Weight (g/mol): 310.29 MDL Number: MFCD00216888 InChI Key: CDOMXXVCZQOOMT-UHFFFAOYSA-N Synonym: Phenylphosphonic Acid Diphenyl Ester PubChem CID: 76448 IUPAC Name: diphenyl phenylphosphonate SMILES: O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 76448 |
|---|---|
| CAS | 3049-24-9 |
| Molecular Weight (g/mol) | 310.29 |
| MDL Number | MFCD00216888 |
| SMILES | O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | Phenylphosphonic Acid Diphenyl Ester |
| IUPAC Name | diphenyl phenylphosphonate |
| InChI Key | CDOMXXVCZQOOMT-UHFFFAOYSA-N |
| Molecular Formula | C18H15O3P |
Isopropyltriphenylphosphonium Iodide 98.0+%, TCI America™
CAS: 24470-78-8 Molecular Formula: C21H22IP Molecular Weight (g/mol): 432.29 MDL Number: MFCD00031595 InChI Key: HHBXWXJLQYJJBW-UHFFFAOYSA-M Synonym: isopropyltriphenylphosphonium iodide,phosphonium, 1-methylethyl triphenyl-, iodide,isopropyltriphenylphosphanium iodide,isopropyl triphenyl phosphonium iodide,triphenyl propan-2-yl phosphanium iodide,i-propyl triphenylphosphonium iodide,isopropyl triphenylphosphonium iodide,acmc-209gck,ksc493k7j,isopropyltriphenylphosphine iodide PubChem CID: 2723783 IUPAC Name: triphenyl(propan-2-yl)phosphanium iodide SMILES: [I-].CC(C)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2723783 |
|---|---|
| CAS | 24470-78-8 |
| Molecular Weight (g/mol) | 432.29 |
| MDL Number | MFCD00031595 |
| SMILES | [I-].CC(C)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | isopropyltriphenylphosphonium iodide,phosphonium, 1-methylethyl triphenyl-, iodide,isopropyltriphenylphosphanium iodide,isopropyl triphenyl phosphonium iodide,triphenyl propan-2-yl phosphanium iodide,i-propyl triphenylphosphonium iodide,isopropyl triphenylphosphonium iodide,acmc-209gck,ksc493k7j,isopropyltriphenylphosphine iodide |
| IUPAC Name | triphenyl(propan-2-yl)phosphanium iodide |
| InChI Key | HHBXWXJLQYJJBW-UHFFFAOYSA-M |
| Molecular Formula | C21H22IP |
2-(Trimethylsilyl)ethoxymethyltriphenylphosphonium Chloride 98.0+%, TCI America™
CAS: 82495-75-8 Molecular Formula: C24H30ClOPSi Molecular Weight (g/mol): 429.012 MDL Number: MFCD00043159 InChI Key: NEUMNYXEDIPGJD-UHFFFAOYSA-M Synonym: 2-trimethylsilyl ethoxymethyltriphenylphosphonium chloride,sem-triphenylphosphonium chloride,2-trimethylsilyl ethoxymethyl triphenylphosphonium chloride,phosphonium, triphenyl 2-trimethylsilyl ethoxy methyl-, chloride,acmc-209pp9,2-trimethylsilyl ethoxymethyltriphenylphosphoniumchloride,2-trimethylsilyl ethoxymethyl-triphenylphosphonium chloride,2-trimethylsilyl-ethoxymethyl triphenylphosphonium chloride,triphenyl-2-trimethylsilanyl-ethoxymethyl phosphonium chloride PubChem CID: 11396265 IUPAC Name: triphenyl(2-trimethylsilylethoxymethyl)phosphanium;chloride SMILES: C[Si](C)(C)CCOC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]
| PubChem CID | 11396265 |
|---|---|
| CAS | 82495-75-8 |
| Molecular Weight (g/mol) | 429.012 |
| MDL Number | MFCD00043159 |
| SMILES | C[Si](C)(C)CCOC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-] |
| Synonym | 2-trimethylsilyl ethoxymethyltriphenylphosphonium chloride,sem-triphenylphosphonium chloride,2-trimethylsilyl ethoxymethyl triphenylphosphonium chloride,phosphonium, triphenyl 2-trimethylsilyl ethoxy methyl-, chloride,acmc-209pp9,2-trimethylsilyl ethoxymethyltriphenylphosphoniumchloride,2-trimethylsilyl ethoxymethyl-triphenylphosphonium chloride,2-trimethylsilyl-ethoxymethyl triphenylphosphonium chloride,triphenyl-2-trimethylsilanyl-ethoxymethyl phosphonium chloride |
| IUPAC Name | triphenyl(2-trimethylsilylethoxymethyl)phosphanium;chloride |
| InChI Key | NEUMNYXEDIPGJD-UHFFFAOYSA-M |
| Molecular Formula | C24H30ClOPSi |
3-Bromo-4-methoxytoluene 98.0+%, TCI America™
CAS: 22002-45-5 Molecular Formula: C8H9BrO Molecular Weight (g/mol): 201.06 MDL Number: MFCD00017783 InChI Key: DHPUIKWBNXTXOB-UHFFFAOYSA-N Synonym: 2-Bromo-4-methylanisole PubChem CID: 89143 IUPAC Name: 2-bromo-1-methoxy-4-methylbenzene SMILES: COC1=CC=C(C)C=C1Br
| PubChem CID | 89143 |
|---|---|
| CAS | 22002-45-5 |
| Molecular Weight (g/mol) | 201.06 |
| MDL Number | MFCD00017783 |
| SMILES | COC1=CC=C(C)C=C1Br |
| Synonym | 2-Bromo-4-methylanisole |
| IUPAC Name | 2-bromo-1-methoxy-4-methylbenzene |
| InChI Key | DHPUIKWBNXTXOB-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrO |