Benzene and substituted derivatives
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5-Bromo-2-nitrobenzotrifluoride 98.0+%, TCI America™
CAS: 344-38-7 Molecular Formula: C7H3BrF3NO2 Molecular Weight (g/mol): 270.005 MDL Number: MFCD00014706 InChI Key: ZHLYHEDQTJZYFI-UHFFFAOYSA-N Synonym: 5-bromo-2-nitrobenzotrifluoride,4-bromo-1-nitro-2-trifluoromethyl benzene,2-nitro-5-bromobenzotrifluoride,5-bromo-2-nitro-a,a,a-trifluorotoluene,5-bromo-a-a,a-trifluoro-2-nitrotoluene,4-bromo-1-nitro-2 trifluoromethyl benzene,4-bromo-1-nitro-2-trifluoromethyl-benzene,benzene, 4-bromo-1-nitro-2-trifluoromethyl,5-bromo-alpha,alpha,alpha-trifluoro-2-nitrotoluene,2-nitro-5-bromotrifluorotoluol PubChem CID: 136171 IUPAC Name: 4-bromo-1-nitro-2-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1Br)C(F)(F)F)[N+](=O)[O-]
| PubChem CID | 136171 |
|---|---|
| CAS | 344-38-7 |
| Molecular Weight (g/mol) | 270.005 |
| MDL Number | MFCD00014706 |
| SMILES | C1=CC(=C(C=C1Br)C(F)(F)F)[N+](=O)[O-] |
| Synonym | 5-bromo-2-nitrobenzotrifluoride,4-bromo-1-nitro-2-trifluoromethyl benzene,2-nitro-5-bromobenzotrifluoride,5-bromo-2-nitro-a,a,a-trifluorotoluene,5-bromo-a-a,a-trifluoro-2-nitrotoluene,4-bromo-1-nitro-2 trifluoromethyl benzene,4-bromo-1-nitro-2-trifluoromethyl-benzene,benzene, 4-bromo-1-nitro-2-trifluoromethyl,5-bromo-alpha,alpha,alpha-trifluoro-2-nitrotoluene,2-nitro-5-bromotrifluorotoluol |
| IUPAC Name | 4-bromo-1-nitro-2-(trifluoromethyl)benzene |
| InChI Key | ZHLYHEDQTJZYFI-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrF3NO2 |
Sodium Thiosalicylate 95.0+%, TCI America™
CAS: 134-23-6 Molecular Formula: C7H5NaO2S Molecular Weight (g/mol): 176.165 MDL Number: MFCD00070504 InChI Key: HBAIZOJDXAXWHS-UHFFFAOYSA-M Synonym: Thiosalicylic Acid Sodium Salt, Sodium 2-Mercaptobenzoate, 2-Mercaptobenzoic Acid Sodium Salt PubChem CID: 23690429 ChEBI: CHEBI:9182 IUPAC Name: sodium;2-sulfanylbenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])S.[Na+]
| PubChem CID | 23690429 |
|---|---|
| CAS | 134-23-6 |
| Molecular Weight (g/mol) | 176.165 |
| ChEBI | CHEBI:9182 |
| MDL Number | MFCD00070504 |
| SMILES | C1=CC=C(C(=C1)C(=O)[O-])S.[Na+] |
| Synonym | Thiosalicylic Acid Sodium Salt, Sodium 2-Mercaptobenzoate, 2-Mercaptobenzoic Acid Sodium Salt |
| IUPAC Name | sodium;2-sulfanylbenzoate |
| InChI Key | HBAIZOJDXAXWHS-UHFFFAOYSA-M |
| Molecular Formula | C7H5NaO2S |
2-[3,5-Bis(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 98.0+%, TCI America™
CAS: 69807-91-6 Molecular Formula: C14H15BF6O2 Molecular Weight (g/mol): 340.07 MDL Number: MFCD12405516 InChI Key: GGMXSSNJKVWXMD-UHFFFAOYSA-N Synonym: 3,5-Bis(trifluoromethyl)phenylboronic Acid Pinacol Ester, 1,3-Bis(trifluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene PubChem CID: 9798005 IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
| PubChem CID | 9798005 |
|---|---|
| CAS | 69807-91-6 |
| Molecular Weight (g/mol) | 340.07 |
| MDL Number | MFCD12405516 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| Synonym | 3,5-Bis(trifluoromethyl)phenylboronic Acid Pinacol Ester, 1,3-Bis(trifluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene |
| IUPAC Name | 2-[3,5-bis(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | GGMXSSNJKVWXMD-UHFFFAOYSA-N |
| Molecular Formula | C14H15BF6O2 |
3,5-Bis(trifluoromethyl)benzyl Alcohol 98.0+%, TCI America™
CAS: 32707-89-4 Molecular Formula: C9H6F6O Molecular Weight (g/mol): 244.136 MDL Number: MFCD00009907 InChI Key: BJTWPJOGDWRYDD-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzyl alcohol,3,5-bis trifluoromethyl phenyl methanol,3,5-bis-trifluoromethyl-phenyl-methanol,3,5-ditrifluoromethylbenzyl alcohol,benzenemethanol, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl benzylalcohol,3,5-di trifluoromethyl benzyl alcohol,3,5-di trifluoromethyl phenyl methanol,3,5-bis-trifluoromethyl benzyl alcohol PubChem CID: 122933 IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methanol SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CO
| PubChem CID | 122933 |
|---|---|
| CAS | 32707-89-4 |
| Molecular Weight (g/mol) | 244.136 |
| MDL Number | MFCD00009907 |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CO |
| Synonym | 3,5-bis trifluoromethyl benzyl alcohol,3,5-bis trifluoromethyl phenyl methanol,3,5-bis-trifluoromethyl-phenyl-methanol,3,5-ditrifluoromethylbenzyl alcohol,benzenemethanol, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl benzylalcohol,3,5-di trifluoromethyl benzyl alcohol,3,5-di trifluoromethyl phenyl methanol,3,5-bis-trifluoromethyl benzyl alcohol |
| IUPAC Name | [3,5-bis(trifluoromethyl)phenyl]methanol |
| InChI Key | BJTWPJOGDWRYDD-UHFFFAOYSA-N |
| Molecular Formula | C9H6F6O |
2-Methyl-5-nitrobenzotrifluoride 98.0+%, TCI America™
CAS: 89976-12-5 Molecular Formula: C8H6F3NO2 Molecular Weight (g/mol): 205.136 MDL Number: MFCD01631684 InChI Key: SVQCVQCIZWSPPX-UHFFFAOYSA-N Synonym: 2-methyl-5-nitrobenzotrifluoride,1-methyl-4-nitro-2-trifluoromethyl benzene,2-trifluoromethyl-4-nitrotoluene,4-nitro-2-trifluoromethyl toluene,1-methyl-4-nitro-2-trifluoromethyl-benzene,benzene, 1-methyl-4-nitro-2-trifluoromethyl,3-trifluoromethyl-4-methylnitrobenzene,2-trifluoromethyl-1-methyl-4-nitrobenzene,pubchem4444 PubChem CID: 2775447 IUPAC Name: 1-methyl-4-nitro-2-(trifluoromethyl)benzene SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F
| PubChem CID | 2775447 |
|---|---|
| CAS | 89976-12-5 |
| Molecular Weight (g/mol) | 205.136 |
| MDL Number | MFCD01631684 |
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F |
| Synonym | 2-methyl-5-nitrobenzotrifluoride,1-methyl-4-nitro-2-trifluoromethyl benzene,2-trifluoromethyl-4-nitrotoluene,4-nitro-2-trifluoromethyl toluene,1-methyl-4-nitro-2-trifluoromethyl-benzene,benzene, 1-methyl-4-nitro-2-trifluoromethyl,3-trifluoromethyl-4-methylnitrobenzene,2-trifluoromethyl-1-methyl-4-nitrobenzene,pubchem4444 |
| IUPAC Name | 1-methyl-4-nitro-2-(trifluoromethyl)benzene |
| InChI Key | SVQCVQCIZWSPPX-UHFFFAOYSA-N |
| Molecular Formula | C8H6F3NO2 |
| PubChem CID | 12109469 |
|---|---|
| CAS | 182344-16-7 |
| MDL Number | MFCD08062379 |
| Color | White |
| Physical Form | Crystalline Powder |
| TSCA | No |
| IUPAC Name | [4-fluoro-2-(trifluoromethyl)phenyl]boronic acid |
| InChI Key | SWUPLEAGZOKLNX-UHFFFAOYSA-N |
| Molecular Formula | C7H5BF4O2 |
| Formula Weight | 207.92 |
| Melting Point | 186°C |
4-(Trifluoromethyl)benzyl Alcohol 96.0+%, TCI America™
CAS: 349-95-1 Molecular Formula: C8H7F3O Molecular Weight (g/mol): 176.138 MDL Number: MFCD00004661 InChI Key: MOOUWXDQAUXZRG-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzyl alcohol,4-trifluoromethyl phenyl methanol,p-trifluoromethylbenzyl alcohol,4-trifluoromethyl benzene methanol,4-trifluoromethyl benzylic alcohol,benzenemethanol, 4-trifluoromethyl,4-trifluoromethylbenzyl alcohol,ccris 5117,4-trifluoromethyl benzylalcohol PubChem CID: 67684 IUPAC Name: [4-(trifluoromethyl)phenyl]methanol SMILES: C1=CC(=CC=C1CO)C(F)(F)F
| PubChem CID | 67684 |
|---|---|
| CAS | 349-95-1 |
| Molecular Weight (g/mol) | 176.138 |
| MDL Number | MFCD00004661 |
| SMILES | C1=CC(=CC=C1CO)C(F)(F)F |
| Synonym | 4-trifluoromethyl benzyl alcohol,4-trifluoromethyl phenyl methanol,p-trifluoromethylbenzyl alcohol,4-trifluoromethyl benzene methanol,4-trifluoromethyl benzylic alcohol,benzenemethanol, 4-trifluoromethyl,4-trifluoromethylbenzyl alcohol,ccris 5117,4-trifluoromethyl benzylalcohol |
| IUPAC Name | [4-(trifluoromethyl)phenyl]methanol |
| InChI Key | MOOUWXDQAUXZRG-UHFFFAOYSA-N |
| Molecular Formula | C8H7F3O |
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol 98.0+%, TCI America™
CAS: 127852-28-2 Molecular Formula: C10H8F6O Molecular Weight (g/mol): 258.16 MDL Number: MFCD03093010 InChI Key: MMSCIQKQJVBPIR-UHFFFAOYNA-N Synonym: r-1-3,5-bis trifluoromethyl phenyl ethanol,1r-1-3,5-bis trifluoromethyl phenyl ethanol,r-1-3,5-bis-trifluoromethyl-phenyl-ethanol,r-1-3,5-bis-trifluoromethylphenyl ethanol,r-1-3,5-bis trifluoromethyl phenyl ethan-1-ol,benzenemethanol, a-methyl-3,5-bis trifluoromethyl-, ar,zlchem 1281 PubChem CID: 2779031 IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-ol SMILES: CC(O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
| PubChem CID | 2779031 |
|---|---|
| CAS | 127852-28-2 |
| Molecular Weight (g/mol) | 258.16 |
| MDL Number | MFCD03093010 |
| SMILES | CC(O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| Synonym | r-1-3,5-bis trifluoromethyl phenyl ethanol,1r-1-3,5-bis trifluoromethyl phenyl ethanol,r-1-3,5-bis-trifluoromethyl-phenyl-ethanol,r-1-3,5-bis-trifluoromethylphenyl ethanol,r-1-3,5-bis trifluoromethyl phenyl ethan-1-ol,benzenemethanol, a-methyl-3,5-bis trifluoromethyl-, ar,zlchem 1281 |
| IUPAC Name | 1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-ol |
| InChI Key | MMSCIQKQJVBPIR-UHFFFAOYNA-N |
| Molecular Formula | C10H8F6O |
2-Chloro-5-(trifluoromethyl)phenyl Isocyanate 98.0+%, TCI America™
CAS: 50528-86-4 Molecular Formula: C8H3ClF3NO Molecular Weight (g/mol): 221.563 MDL Number: MFCD00037029 InChI Key: WEPYOPYMWSHRIW-UHFFFAOYSA-N Synonym: 2-chloro-5-trifluoromethyl phenyl isocyanate,1-chloro-2-isocyanato-4-trifluoromethyl benzene,isocyanic acid 2-chloro-5-trifluoromethyl phenyl ester,2-chloro-5-trifluoromethylphenyl isocyanate,2-chloro-5-trifluoromethyl phenylisocyanate,2-chloro-5-trifluoromethyl benzenisocyanate,pubchem5026,acmc-1aq1j,timtec-bb sbb006656,1-mercapto-2-methyl-propan-2-ol PubChem CID: 2733263 IUPAC Name: 1-chloro-2-isocyanato-4-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1C(F)(F)F)N=C=O)Cl
| PubChem CID | 2733263 |
|---|---|
| CAS | 50528-86-4 |
| Molecular Weight (g/mol) | 221.563 |
| MDL Number | MFCD00037029 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)N=C=O)Cl |
| Synonym | 2-chloro-5-trifluoromethyl phenyl isocyanate,1-chloro-2-isocyanato-4-trifluoromethyl benzene,isocyanic acid 2-chloro-5-trifluoromethyl phenyl ester,2-chloro-5-trifluoromethylphenyl isocyanate,2-chloro-5-trifluoromethyl phenylisocyanate,2-chloro-5-trifluoromethyl benzenisocyanate,pubchem5026,acmc-1aq1j,timtec-bb sbb006656,1-mercapto-2-methyl-propan-2-ol |
| IUPAC Name | 1-chloro-2-isocyanato-4-(trifluoromethyl)benzene |
| InChI Key | WEPYOPYMWSHRIW-UHFFFAOYSA-N |
| Molecular Formula | C8H3ClF3NO |
Tetraethylene Glycol Monobenzyl Ether 95.0+%, TCI America™
CAS: 86259-87-2 Molecular Formula: C15H24O5 Molecular Weight (g/mol): 284.35 MDL Number: MFCD06797175 InChI Key: QDPIVUQXPXUNLN-UHFFFAOYSA-N Synonym: 2-[2-[2-[2-(Benzyloxy)ethoxy]ethoxy]ethoxy]ethanol PubChem CID: 11076957 IUPAC Name: 1-phenyl-2,5,8,11-tetraoxatridecan-13-ol SMILES: OCCOCCOCCOCCOCC1=CC=CC=C1
| PubChem CID | 11076957 |
|---|---|
| CAS | 86259-87-2 |
| Molecular Weight (g/mol) | 284.35 |
| MDL Number | MFCD06797175 |
| SMILES | OCCOCCOCCOCCOCC1=CC=CC=C1 |
| Synonym | 2-[2-[2-[2-(Benzyloxy)ethoxy]ethoxy]ethoxy]ethanol |
| IUPAC Name | 1-phenyl-2,5,8,11-tetraoxatridecan-13-ol |
| InChI Key | QDPIVUQXPXUNLN-UHFFFAOYSA-N |
| Molecular Formula | C15H24O5 |
Methyl 2-(Cyanomethyl)benzoate 98.0+%, TCI America™
CAS: 4-6-5597 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD01631304 InChI Key: CMADSXVGXNLKHA-UHFFFAOYSA-N Synonym: 2-(Cyanomethyl)benzoic Acid Methyl Ester PubChem CID: 588805 IUPAC Name: methyl 2-(cyanomethyl)benzoate SMILES: COC(=O)C1=CC=CC=C1CC#N
| PubChem CID | 588805 |
|---|---|
| CAS | 4-6-5597 |
| Molecular Weight (g/mol) | 175.19 |
| MDL Number | MFCD01631304 |
| SMILES | COC(=O)C1=CC=CC=C1CC#N |
| Synonym | 2-(Cyanomethyl)benzoic Acid Methyl Ester |
| IUPAC Name | methyl 2-(cyanomethyl)benzoate |
| InChI Key | CMADSXVGXNLKHA-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
2-Hydroxy-5-nitrobenzyl Bromide 95.0+%, TCI America™
CAS: 772-33-8 Molecular Formula: C7H6BrNO3 Molecular Weight (g/mol): 232.033 MDL Number: MFCD00007340 InChI Key: KFDPCYZHENQOBV-UHFFFAOYSA-N Synonym: 2-hydroxy-5-nitrobenzyl bromide,2-bromomethyl-4-nitrophenol,alpha-bromo-4-nitro-o-cresol,phenol, 2-bromomethyl-4-nitro,koshland reagent i,2-bromomethyl-4-nitro-phenol,2-hydroxy-5-nitrobenzylbromide,.alpha.-bromo-4-nitro-o-cresol,o-cresol, .alpha.-bromo-4-nitro,koshland i PubChem CID: 13044 IUPAC Name: 2-(bromomethyl)-4-nitrophenol SMILES: C1=CC(=C(C=C1[N+](=O)[O-])CBr)O
| PubChem CID | 13044 |
|---|---|
| CAS | 772-33-8 |
| Molecular Weight (g/mol) | 232.033 |
| MDL Number | MFCD00007340 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])CBr)O |
| Synonym | 2-hydroxy-5-nitrobenzyl bromide,2-bromomethyl-4-nitrophenol,alpha-bromo-4-nitro-o-cresol,phenol, 2-bromomethyl-4-nitro,koshland reagent i,2-bromomethyl-4-nitro-phenol,2-hydroxy-5-nitrobenzylbromide,.alpha.-bromo-4-nitro-o-cresol,o-cresol, .alpha.-bromo-4-nitro,koshland i |
| IUPAC Name | 2-(bromomethyl)-4-nitrophenol |
| InChI Key | KFDPCYZHENQOBV-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO3 |
3,5-Bis(tert-butyldiphenylsilyloxy)benzyl Alcohol 95.0+%, TCI America™
CAS: 182250-70-0 Molecular Formula: C39H44O3Si2 Molecular Weight (g/mol): 616.948 MDL Number: MFCD02093440 InChI Key: SDDISUZNVYXXHS-UHFFFAOYSA-N PubChem CID: 11114774 IUPAC Name: [3,5-bis[[tert-butyl(diphenyl)silyl]oxy]phenyl]methanol SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3=CC(=CC(=C3)CO)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C
| PubChem CID | 11114774 |
|---|---|
| CAS | 182250-70-0 |
| Molecular Weight (g/mol) | 616.948 |
| MDL Number | MFCD02093440 |
| SMILES | CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3=CC(=CC(=C3)CO)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C |
| IUPAC Name | [3,5-bis[[tert-butyl(diphenyl)silyl]oxy]phenyl]methanol |
| InChI Key | SDDISUZNVYXXHS-UHFFFAOYSA-N |
| Molecular Formula | C39H44O3Si2 |
4-(Methylthio)benzyl Alcohol 98.0+%, TCI America™
CAS: 3446-90-0 Molecular Formula: C8H10OS Molecular Weight (g/mol): 154.227 MDL Number: MFCD00009706 InChI Key: MTXQKSQYMREAGJ-UHFFFAOYSA-N Synonym: 4-methylthio benzyl alcohol,4-methylthio phenyl methanol,p-methylthiobenzyl alcohol,4-methylsulfanyl phenyl methanol,4-methylthiobenzyl alcohol,4-methylthio benzylalcohol,p-methylthio benzyl alcohol,4-methylsulfanylphenyl methanol,4-hydroxymethyl thioanisole PubChem CID: 592968 IUPAC Name: (4-methylsulfanylphenyl)methanol SMILES: CSC1=CC=C(C=C1)CO
| PubChem CID | 592968 |
|---|---|
| CAS | 3446-90-0 |
| Molecular Weight (g/mol) | 154.227 |
| MDL Number | MFCD00009706 |
| SMILES | CSC1=CC=C(C=C1)CO |
| Synonym | 4-methylthio benzyl alcohol,4-methylthio phenyl methanol,p-methylthiobenzyl alcohol,4-methylsulfanyl phenyl methanol,4-methylthiobenzyl alcohol,4-methylthio benzylalcohol,p-methylthio benzyl alcohol,4-methylsulfanylphenyl methanol,4-hydroxymethyl thioanisole |
| IUPAC Name | (4-methylsulfanylphenyl)methanol |
| InChI Key | MTXQKSQYMREAGJ-UHFFFAOYSA-N |
| Molecular Formula | C8H10OS |
Benzyl 2-Chloroethyl Ether 98.0+%, TCI America™
CAS: 17229-17-3 Molecular Formula: C9H11ClO Molecular Weight (g/mol): 170.636 InChI Key: UPIMXDQREQJWMR-UHFFFAOYSA-N Synonym: 2-(Benzyloxy)ethyl Chloride, (2-Chloroethoxymethyl)benzene PubChem CID: 223538 IUPAC Name: 2-chloroethoxymethylbenzene SMILES: C1=CC=C(C=C1)COCCCl
| PubChem CID | 223538 |
|---|---|
| CAS | 17229-17-3 |
| Molecular Weight (g/mol) | 170.636 |
| SMILES | C1=CC=C(C=C1)COCCCl |
| Synonym | 2-(Benzyloxy)ethyl Chloride, (2-Chloroethoxymethyl)benzene |
| IUPAC Name | 2-chloroethoxymethylbenzene |
| InChI Key | UPIMXDQREQJWMR-UHFFFAOYSA-N |
| Molecular Formula | C9H11ClO |