Benzenoids
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2-Dodecyl-p-cresol 98.0+%, TCI America™
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CAS: 25912-91-8 Molecular Formula: C19H32O Molecular Weight (g/mol): 276.46 MDL Number: MFCD00191638 InChI Key: OCDBOZHPSDAPFB-UHFFFAOYSA-N Synonym: 2-Lauryl-p-cresol PubChem CID: 623887 IUPAC Name: 2-dodecyl-4-methylphenol SMILES: CCCCCCCCCCCCC1=C(O)C=CC(C)=C1
| PubChem CID | 623887 |
|---|---|
| CAS | 25912-91-8 |
| Molecular Weight (g/mol) | 276.46 |
| MDL Number | MFCD00191638 |
| SMILES | CCCCCCCCCCCCC1=C(O)C=CC(C)=C1 |
| Synonym | 2-Lauryl-p-cresol |
| IUPAC Name | 2-dodecyl-4-methylphenol |
| InChI Key | OCDBOZHPSDAPFB-UHFFFAOYSA-N |
| Molecular Formula | C19H32O |
2,2'-Methylenebis(4-methylphenol) 90.0+%, TCI America™
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CAS: 3236-63-3 Molecular Formula: C15H16O2 Molecular Weight (g/mol): 228.29 MDL Number: MFCD00155176 InChI Key: XZXYQEHISUMZAT-UHFFFAOYSA-N PubChem CID: 76715 IUPAC Name: 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol SMILES: CC1=CC=C(O)C(CC2=CC(C)=CC=C2O)=C1
| PubChem CID | 76715 |
|---|---|
| CAS | 3236-63-3 |
| Molecular Weight (g/mol) | 228.29 |
| MDL Number | MFCD00155176 |
| SMILES | CC1=CC=C(O)C(CC2=CC(C)=CC=C2O)=C1 |
| IUPAC Name | 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol |
| InChI Key | XZXYQEHISUMZAT-UHFFFAOYSA-N |
| Molecular Formula | C15H16O2 |
2,6-Difluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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CAS: 162101-25-9 Molecular Formula: C6H5BF2O2 Molecular Weight (g/mol): 157.911 InChI Key: DBZAICSEFBVFHL-UHFFFAOYSA-N Synonym: 2,6-difluorobenzeneboronic acid,2,6-difluorophenyl boronic acid,2,6-difluorophenyl boranediol,boronic acid, 2,6-difluorophenyl,2,6-difluorphenylboronic acid,2,6-difluoro phenylboric acid,boronic acid, b-2,6-difluorophenyl,2,6-difluorophenylboricacid,pubchem1816,acmc-1celt PubChem CID: 2734336 IUPAC Name: (2,6-difluorophenyl)boronic acid SMILES: B(C1=C(C=CC=C1F)F)(O)O
| PubChem CID | 2734336 |
|---|---|
| CAS | 162101-25-9 |
| Molecular Weight (g/mol) | 157.911 |
| SMILES | B(C1=C(C=CC=C1F)F)(O)O |
| Synonym | 2,6-difluorobenzeneboronic acid,2,6-difluorophenyl boronic acid,2,6-difluorophenyl boranediol,boronic acid, 2,6-difluorophenyl,2,6-difluorphenylboronic acid,2,6-difluoro phenylboric acid,boronic acid, b-2,6-difluorophenyl,2,6-difluorophenylboricacid,pubchem1816,acmc-1celt |
| IUPAC Name | (2,6-difluorophenyl)boronic acid |
| InChI Key | DBZAICSEFBVFHL-UHFFFAOYSA-N |
| Molecular Formula | C6H5BF2O2 |
2-Amino-5-bromobenzonitrile 98.0+%, TCI America™
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CAS: 39263-32-6 Molecular Formula: C7H5BrN2 Molecular Weight (g/mol): 197.04 MDL Number: MFCD00158946 InChI Key: OATYCBHROMXWJO-UHFFFAOYSA-N Synonym: 4-bromo-2-cyanoaniline,2-amino-5-brombenzonitrile,2-amio-5-bromobenzonitrile,5-bromoanthranilonitrile,2-amino-5-bromobenzenecarbonitrile,2-amino-5-bromo-benzonitrile,benzonitrile, 2-amino-5-bromo,2-bromo-5-cyanoaniline,pubchem4602,2-cyano-4-bromoaniline PubChem CID: 429740 IUPAC Name: 2-amino-5-bromobenzonitrile SMILES: NC1=CC=C(Br)C=C1C#N
| PubChem CID | 429740 |
|---|---|
| CAS | 39263-32-6 |
| Molecular Weight (g/mol) | 197.04 |
| MDL Number | MFCD00158946 |
| SMILES | NC1=CC=C(Br)C=C1C#N |
| Synonym | 4-bromo-2-cyanoaniline,2-amino-5-brombenzonitrile,2-amio-5-bromobenzonitrile,5-bromoanthranilonitrile,2-amino-5-bromobenzenecarbonitrile,2-amino-5-bromo-benzonitrile,benzonitrile, 2-amino-5-bromo,2-bromo-5-cyanoaniline,pubchem4602,2-cyano-4-bromoaniline |
| IUPAC Name | 2-amino-5-bromobenzonitrile |
| InChI Key | OATYCBHROMXWJO-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrN2 |
1,1-Diphenyl-2-thiourea 98.0+%, TCI America™
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CAS: 3898-08-6 Molecular Formula: C13H12N2S Molecular Weight (g/mol): 228.31 MDL Number: MFCD00059151 InChI Key: FPZXQVCYHDMIIA-UHFFFAOYSA-N Synonym: N,N-Diphenylthiourea PubChem CID: 3034143 IUPAC Name: 1,1-diphenylthiourea SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=S)N
| PubChem CID | 3034143 |
|---|---|
| CAS | 3898-08-6 |
| Molecular Weight (g/mol) | 228.31 |
| MDL Number | MFCD00059151 |
| SMILES | C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=S)N |
| Synonym | N,N-Diphenylthiourea |
| IUPAC Name | 1,1-diphenylthiourea |
| InChI Key | FPZXQVCYHDMIIA-UHFFFAOYSA-N |
| Molecular Formula | C13H12N2S |
Diphenyliodonium Chloride 98.0+%, TCI America™
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CAS: 1483-72-3 Molecular Formula: C12H10ClI Molecular Weight (g/mol): 316.57 MDL Number: MFCD00011909 InChI Key: RSJLWBUYLGJOBD-UHFFFAOYSA-M Synonym: diphenyliodonium chloride,diphenyliodanium chloride,iodonium, diphenyl-, chloride,diphenyliodoniumchloride,c12h10i.cl,iodonium, diphenyl-, chloride 1:1,acmc-1bxx9 PubChem CID: 73870 IUPAC Name: diphenyliodanium chloride SMILES: [Cl-].[I+](C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 73870 |
|---|---|
| CAS | 1483-72-3 |
| Molecular Weight (g/mol) | 316.57 |
| MDL Number | MFCD00011909 |
| SMILES | [Cl-].[I+](C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | diphenyliodonium chloride,diphenyliodanium chloride,iodonium, diphenyl-, chloride,diphenyliodoniumchloride,c12h10i.cl,iodonium, diphenyl-, chloride 1:1,acmc-1bxx9 |
| IUPAC Name | diphenyliodanium chloride |
| InChI Key | RSJLWBUYLGJOBD-UHFFFAOYSA-M |
| Molecular Formula | C12H10ClI |
2-Fluorothioanisole 98.0+%, TCI America™
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CAS: 655-20-9 Molecular Formula: C7H7FS Molecular Weight (g/mol): 142.19 MDL Number: MFCD03093762 InChI Key: AYTSELVZWGHUEE-UHFFFAOYSA-N Synonym: 2-Fluorophenyl Methyl Sulfide, 1-Fluoro-2-(methylthio)benzene PubChem CID: 2774762 IUPAC Name: 1-fluoro-2-(methylsulfanyl)benzene SMILES: CSC1=CC=CC=C1F
| PubChem CID | 2774762 |
|---|---|
| CAS | 655-20-9 |
| Molecular Weight (g/mol) | 142.19 |
| MDL Number | MFCD03093762 |
| SMILES | CSC1=CC=CC=C1F |
| Synonym | 2-Fluorophenyl Methyl Sulfide, 1-Fluoro-2-(methylthio)benzene |
| IUPAC Name | 1-fluoro-2-(methylsulfanyl)benzene |
| InChI Key | AYTSELVZWGHUEE-UHFFFAOYSA-N |
| Molecular Formula | C7H7FS |
5-Bromo-2-methoxybenzonitrile 98.0+%, TCI America™
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CAS: 144649-99-0 Molecular Formula: C8H6BrNO Molecular Weight (g/mol): 212.05 MDL Number: MFCD00143429 InChI Key: LOASAXVECBZCRJ-UHFFFAOYSA-N PubChem CID: 4418560 IUPAC Name: 5-bromo-2-methoxybenzonitrile SMILES: COC1=C(C=C(Br)C=C1)C#N
| PubChem CID | 4418560 |
|---|---|
| CAS | 144649-99-0 |
| Molecular Weight (g/mol) | 212.05 |
| MDL Number | MFCD00143429 |
| SMILES | COC1=C(C=C(Br)C=C1)C#N |
| IUPAC Name | 5-bromo-2-methoxybenzonitrile |
| InChI Key | LOASAXVECBZCRJ-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrNO |
3-Hydroxyphenylurea 97.0+%, TCI America™
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CAS: 701-82-6 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 MDL Number: MFCD00007945 InChI Key: IPRCBIWIPMJXIK-UHFFFAOYSA-N Synonym: 1-3-hydroxyphenyl urea,m-hydroxyphenylurea,3-ureidophenol,urea, 3-hydroxyphenyl,3-hydroxyphenyl urea,urea, m-hydroxyphenyl,urea, n-3-hydroxyphenyl,n-carbamyl-m-aminophenol,n-3-hydroxyphenyl urea,urea,n-3-hydroxyphenyl PubChem CID: 12796 IUPAC Name: (3-hydroxyphenyl)urea SMILES: C1=CC(=CC(=C1)O)NC(=O)N
| PubChem CID | 12796 |
|---|---|
| CAS | 701-82-6 |
| Molecular Weight (g/mol) | 152.153 |
| MDL Number | MFCD00007945 |
| SMILES | C1=CC(=CC(=C1)O)NC(=O)N |
| Synonym | 1-3-hydroxyphenyl urea,m-hydroxyphenylurea,3-ureidophenol,urea, 3-hydroxyphenyl,3-hydroxyphenyl urea,urea, m-hydroxyphenyl,urea, n-3-hydroxyphenyl,n-carbamyl-m-aminophenol,n-3-hydroxyphenyl urea,urea,n-3-hydroxyphenyl |
| IUPAC Name | (3-hydroxyphenyl)urea |
| InChI Key | IPRCBIWIPMJXIK-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
4-Bromo-1,1,7,7-tetraethyl-1,2,3,5,6,7-hexahydro-3,3,5,5-tetramethyl-s-indacene 95.0+%, TCI America™
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CAS: 1142818-90-3 Molecular Formula: C24H37Br Molecular Weight (g/mol): 405.46 MDL Number: MFCD28100820 InChI Key: DTVNULIVVOTHAI-UHFFFAOYSA-N Synonym: EMind-Br PubChem CID: 91972079 IUPAC Name: 4-bromo-1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-1,2,3,5,6,7-hexahydro-s-indacene SMILES: CCC1(CC)CC(C)(C)C2=C(Br)C3=C(C=C12)C(CC)(CC)CC3(C)C
| PubChem CID | 91972079 |
|---|---|
| CAS | 1142818-90-3 |
| Molecular Weight (g/mol) | 405.46 |
| MDL Number | MFCD28100820 |
| SMILES | CCC1(CC)CC(C)(C)C2=C(Br)C3=C(C=C12)C(CC)(CC)CC3(C)C |
| Synonym | EMind-Br |
| IUPAC Name | 4-bromo-1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-1,2,3,5,6,7-hexahydro-s-indacene |
| InChI Key | DTVNULIVVOTHAI-UHFFFAOYSA-N |
| Molecular Formula | C24H37Br |
3,3',4,5'-Tetramethoxypiceatannol 98.0+%, TCI America™
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CAS: 83088-26-0 Molecular Formula: C18H20O4 Molecular Weight (g/mol): 300.354 MDL Number: MFCD09033675 InChI Key: PTVAOGIYBMTHSN-AATRIKPKSA-N PubChem CID: 5387294 IUPAC Name: 1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene SMILES: COC1=C(C=C(C=C1)C=CC2=CC(=CC(=C2)OC)OC)OC
| PubChem CID | 5387294 |
|---|---|
| CAS | 83088-26-0 |
| Molecular Weight (g/mol) | 300.354 |
| MDL Number | MFCD09033675 |
| SMILES | COC1=C(C=C(C=C1)C=CC2=CC(=CC(=C2)OC)OC)OC |
| IUPAC Name | 1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene |
| InChI Key | PTVAOGIYBMTHSN-AATRIKPKSA-N |
| Molecular Formula | C18H20O4 |
2,4,5-Trifluoro-3-methoxybenzoic Acid 98.0+%, TCI America™
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CAS: 112811-65-1 Molecular Formula: C8H5F3O3 Molecular Weight (g/mol): 206.12 MDL Number: MFCD00153201 InChI Key: YVJHZWWMKFQKDC-UHFFFAOYSA-N Synonym: 3-methoxy-2,4,5-trifluorobenzoic acid,2,4,5-trifluoro-m-anisic acid,2,4,5-trifluoro-3-methoxy benzoic acid,2,4,5-trifluoro-3-methoxy-benzoic acid,benzoic acid, 2,4,5-trifluoro-3-methoxy,pubchem1352,pubchem2237,acmc-1bt5z,ksc181i7h,3-methoxy-2,4,5-triflourobenzoic acid PubChem CID: 2733970 IUPAC Name: 2,4,5-trifluoro-3-methoxybenzoic acid SMILES: COC1=C(C(=CC(=C1F)F)C(=O)O)F
| PubChem CID | 2733970 |
|---|---|
| CAS | 112811-65-1 |
| Molecular Weight (g/mol) | 206.12 |
| MDL Number | MFCD00153201 |
| SMILES | COC1=C(C(=CC(=C1F)F)C(=O)O)F |
| Synonym | 3-methoxy-2,4,5-trifluorobenzoic acid,2,4,5-trifluoro-m-anisic acid,2,4,5-trifluoro-3-methoxy benzoic acid,2,4,5-trifluoro-3-methoxy-benzoic acid,benzoic acid, 2,4,5-trifluoro-3-methoxy,pubchem1352,pubchem2237,acmc-1bt5z,ksc181i7h,3-methoxy-2,4,5-triflourobenzoic acid |
| IUPAC Name | 2,4,5-trifluoro-3-methoxybenzoic acid |
| InChI Key | YVJHZWWMKFQKDC-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O3 |
4-Bromo-2,6-diethylaniline 98.0+%, TCI America™
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CAS: 56746-19-1 Molecular Formula: C10H14BrN Molecular Weight (g/mol): 228.133 MDL Number: MFCD00059266 InChI Key: BEJYDMQQZUACPW-UHFFFAOYSA-N Synonym: 2,6-Diethyl-4-bromoaniline PubChem CID: 611452 IUPAC Name: 4-bromo-2,6-diethylaniline SMILES: CCC1=CC(=CC(=C1N)CC)Br
| PubChem CID | 611452 |
|---|---|
| CAS | 56746-19-1 |
| Molecular Weight (g/mol) | 228.133 |
| MDL Number | MFCD00059266 |
| SMILES | CCC1=CC(=CC(=C1N)CC)Br |
| Synonym | 2,6-Diethyl-4-bromoaniline |
| IUPAC Name | 4-bromo-2,6-diethylaniline |
| InChI Key | BEJYDMQQZUACPW-UHFFFAOYSA-N |
| Molecular Formula | C10H14BrN |
Bromothymol Blue Sodium Salt, TCI America™
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CAS: 34722-90-2 Molecular Formula: C27H27Br2NaO5S Molecular Weight (g/mol): 646.37 MDL Number: MFCD00077263,MFCD00077263,MFCD00077263 InChI Key: NMKFVGALBGZKGW-FKWCIMQXSA-M Synonym: cfn0fbc3yh,unii-cfn0fbc3yh,sodium bromothymol blue,bromothymol blue sodium salt,3',3-dibromothymolsulfonephthalein sodium salt,bromthymol blue sodium,phenol, 4,4'-1,1-dioxido-3h-2,1-benzoxathiol-3-ylidene bis 2-bromo-3-methyl-6-1-methylethyl-, monosodium salt,phenol, 4,4'-1,1-dioxido-3h-2,1-benzoxathiol-3-ylidene bis 2-bromo-3-methyl-6-1-methylethyl-, sodium salt 1:1,bromthymol blue sodium salt,bromothymol blue, sodium salt PubChem CID: 102183223 IUPAC Name: sodium 2-{[(1Z)-3-bromo-2-methyl-4-oxo-5-(propan-2-yl)cyclohexa-2,5-dien-1-ylidene][3-bromo-4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]methyl}benzene-1-sulfonate SMILES: [Na+].CC(C)C1=CC(\C(C2=CC=CC=C2S([O-])(=O)=O)=C2/C=C(C(C)C)C(=O)C(Br)=C2C)=C(C)C(Br)=C1O
| PubChem CID | 102183223 |
|---|---|
| CAS | 34722-90-2 |
| Molecular Weight (g/mol) | 646.37 |
| MDL Number | MFCD00077263,MFCD00077263,MFCD00077263 |
| SMILES | [Na+].CC(C)C1=CC(\C(C2=CC=CC=C2S([O-])(=O)=O)=C2/C=C(C(C)C)C(=O)C(Br)=C2C)=C(C)C(Br)=C1O |
| Synonym | cfn0fbc3yh,unii-cfn0fbc3yh,sodium bromothymol blue,bromothymol blue sodium salt,3',3-dibromothymolsulfonephthalein sodium salt,bromthymol blue sodium,phenol, 4,4'-1,1-dioxido-3h-2,1-benzoxathiol-3-ylidene bis 2-bromo-3-methyl-6-1-methylethyl-, monosodium salt,phenol, 4,4'-1,1-dioxido-3h-2,1-benzoxathiol-3-ylidene bis 2-bromo-3-methyl-6-1-methylethyl-, sodium salt 1:1,bromthymol blue sodium salt,bromothymol blue, sodium salt |
| IUPAC Name | sodium 2-{[(1Z)-3-bromo-2-methyl-4-oxo-5-(propan-2-yl)cyclohexa-2,5-dien-1-ylidene][3-bromo-4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]methyl}benzene-1-sulfonate |
| InChI Key | NMKFVGALBGZKGW-FKWCIMQXSA-M |
| Molecular Formula | C27H27Br2NaO5S |
Methyl 2,6-Difluoro-3-nitrobenzoate 98.0+%, TCI America™
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CAS: 84832-01-9 Molecular Formula: C8H5F2NO4 Molecular Weight (g/mol): 217.128 MDL Number: MFCD07368850 InChI Key: CIHHBTMZOLRCRL-UHFFFAOYSA-N PubChem CID: 43449035 IUPAC Name: methyl 2,6-difluoro-3-nitrobenzoate SMILES: COC(=O)C1=C(C=CC(=C1F)[N+](=O)[O-])F
| PubChem CID | 43449035 |
|---|---|
| CAS | 84832-01-9 |
| Molecular Weight (g/mol) | 217.128 |
| MDL Number | MFCD07368850 |
| SMILES | COC(=O)C1=C(C=CC(=C1F)[N+](=O)[O-])F |
| IUPAC Name | methyl 2,6-difluoro-3-nitrobenzoate |
| InChI Key | CIHHBTMZOLRCRL-UHFFFAOYSA-N |
| Molecular Formula | C8H5F2NO4 |