Benzene and substituted derivatives
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4-tert-Butylbenzenesulfonamide 98.0+%, TCI America™
CAS: 6292-59-7 Molecular Formula: C10H15NO2S Molecular Weight (g/mol): 213.295 MDL Number: MFCD00068599 InChI Key: KYDZEZNYRFJCSA-UHFFFAOYSA-N PubChem CID: 222872 IUPAC Name: 4-tert-butylbenzenesulfonamide SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N
| PubChem CID | 222872 |
|---|---|
| CAS | 6292-59-7 |
| Molecular Weight (g/mol) | 213.295 |
| MDL Number | MFCD00068599 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N |
| IUPAC Name | 4-tert-butylbenzenesulfonamide |
| InChI Key | KYDZEZNYRFJCSA-UHFFFAOYSA-N |
| Molecular Formula | C10H15NO2S |
2,3,6-Trifluorobenzoic Acid 98.0+%, TCI America™
CAS: 2358-29-4 Molecular Formula: C7H2F3O2 Molecular Weight (g/mol): 175.09 MDL Number: MFCD00002409 InChI Key: MGUPHQGQNHDGNK-UHFFFAOYSA-M Synonym: 2,5,6-trifluorobenzoic acid,2,3,6-trifluorobenzoicacid,2,3,6-trifluoro-benzoic acid,benzoic acid, 2,3,6-trifluoro,pubchem1344,intermediates-zcf02628,ksc494k2n,2,3,6-trifluoro benzoic acid,rarechem al bo 0267,2,3,6-trifluorobenzoic acid PubChem CID: 520062 IUPAC Name: 2,3,6-trifluorobenzoate SMILES: [O-]C(=O)C1=C(F)C=CC(F)=C1F
| PubChem CID | 520062 |
|---|---|
| CAS | 2358-29-4 |
| Molecular Weight (g/mol) | 175.09 |
| MDL Number | MFCD00002409 |
| SMILES | [O-]C(=O)C1=C(F)C=CC(F)=C1F |
| Synonym | 2,5,6-trifluorobenzoic acid,2,3,6-trifluorobenzoicacid,2,3,6-trifluoro-benzoic acid,benzoic acid, 2,3,6-trifluoro,pubchem1344,intermediates-zcf02628,ksc494k2n,2,3,6-trifluoro benzoic acid,rarechem al bo 0267,2,3,6-trifluorobenzoic acid |
| IUPAC Name | 2,3,6-trifluorobenzoate |
| InChI Key | MGUPHQGQNHDGNK-UHFFFAOYSA-M |
| Molecular Formula | C7H2F3O2 |
Carbonylhydridotris(triphenylphosphine)iridium(I), TCI America™
CAS: 17250-25-8 Molecular Formula: C55H46IrOP3 Molecular Weight (g/mol): 1008.11 MDL Number: MFCD00015525 InChI Key: IOPVMNYABUEALT-UHFFFAOYSA-N Synonym: carbonylhydridotris triphenylphosphine iridium i,iridium 1+ formaldehyde tris triphenylphosphine hydride PubChem CID: 92135237 IUPAC Name: methanidylidyneoxidanium tris(triphenylphosphane) iridium hydride SMILES: [IrH].[C-]#[O+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 92135237 |
|---|---|
| CAS | 17250-25-8 |
| Molecular Weight (g/mol) | 1008.11 |
| MDL Number | MFCD00015525 |
| SMILES | [IrH].[C-]#[O+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | carbonylhydridotris triphenylphosphine iridium i,iridium 1+ formaldehyde tris triphenylphosphine hydride |
| IUPAC Name | methanidylidyneoxidanium tris(triphenylphosphane) iridium hydride |
| InChI Key | IOPVMNYABUEALT-UHFFFAOYSA-N |
| Molecular Formula | C55H46IrOP3 |
3-Amino-4-methylbenzyl Alcohol 98.0+%, TCI America™
CAS: 81863-45-8 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.18 MDL Number: MFCD00075051 InChI Key: BCQKYGYTOHXGLL-UHFFFAOYSA-N PubChem CID: 586243 IUPAC Name: (3-amino-4-methylphenyl)methanol SMILES: CC1=C(N)C=C(CO)C=C1
| PubChem CID | 586243 |
|---|---|
| CAS | 81863-45-8 |
| Molecular Weight (g/mol) | 137.18 |
| MDL Number | MFCD00075051 |
| SMILES | CC1=C(N)C=C(CO)C=C1 |
| IUPAC Name | (3-amino-4-methylphenyl)methanol |
| InChI Key | BCQKYGYTOHXGLL-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl Bromide 98.0+%, TCI America™
CAS: 138500-85-3 Molecular Formula: C13H18BBrO2 Molecular Weight (g/mol): 297.00 MDL Number: MFCD02179493 InChI Key: CBUOGMOTDGNEAW-UHFFFAOYSA-N Synonym: 2-4-bromomethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-bromomethyl benzeneboronic acid pinacol ester,4-bromomethylphenylboronic acid pinacol ester,4-bromomethylphenylboronic acid, pinacol ester,4-bromomethyl phenylboronic acid pinacol ester,1,3,2-dioxaborolane, 2-4-bromomethyl phenyl-4,4,5,5-tetramethyl,2-4-bromomethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaboronate,4-bromomethyl benzeneboronicacidpinacolester,4-bromomethyl benzeneboronic acid, pinacol ester PubChem CID: 3734506 IUPAC Name: 2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(CBr)C=C1
| PubChem CID | 3734506 |
|---|---|
| CAS | 138500-85-3 |
| Molecular Weight (g/mol) | 297.00 |
| MDL Number | MFCD02179493 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC=C(CBr)C=C1 |
| Synonym | 2-4-bromomethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-bromomethyl benzeneboronic acid pinacol ester,4-bromomethylphenylboronic acid pinacol ester,4-bromomethylphenylboronic acid, pinacol ester,4-bromomethyl phenylboronic acid pinacol ester,1,3,2-dioxaborolane, 2-4-bromomethyl phenyl-4,4,5,5-tetramethyl,2-4-bromomethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaboronate,4-bromomethyl benzeneboronicacidpinacolester,4-bromomethyl benzeneboronic acid, pinacol ester |
| IUPAC Name | 2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | CBUOGMOTDGNEAW-UHFFFAOYSA-N |
| Molecular Formula | C13H18BBrO2 |
4-(Methylsulfonyl)benzyl Bromide 97.0+%, TCI America™
CAS: 53606-06-7 Molecular Formula: C8H9BrO2S Molecular Weight (g/mol): 249.122 MDL Number: MFCD00185849 InChI Key: HGKPAXHJTMHWAH-UHFFFAOYSA-N Synonym: 1-bromomethyl-4-methylsulfonyl benzene,4-methylsulfonyl benzyl bromide,1-bromomethyl-4-methanesulfonylbenzene,benzene, 1-bromomethyl-4-methylsulfonyl,4-methylsulphonylbenzyl bromide,4-methylsulfonyl benzylbromide,1-bromomethyl-4-methanesulfonyl-benzene,1-bromomethyl-4-methylsulfonylbenzene,pubchem18666,acmc-1b0ix PubChem CID: 2733581 IUPAC Name: 1-(bromomethyl)-4-methylsulfonylbenzene SMILES: CS(=O)(=O)C1=CC=C(C=C1)CBr
| PubChem CID | 2733581 |
|---|---|
| CAS | 53606-06-7 |
| Molecular Weight (g/mol) | 249.122 |
| MDL Number | MFCD00185849 |
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)CBr |
| Synonym | 1-bromomethyl-4-methylsulfonyl benzene,4-methylsulfonyl benzyl bromide,1-bromomethyl-4-methanesulfonylbenzene,benzene, 1-bromomethyl-4-methylsulfonyl,4-methylsulphonylbenzyl bromide,4-methylsulfonyl benzylbromide,1-bromomethyl-4-methanesulfonyl-benzene,1-bromomethyl-4-methylsulfonylbenzene,pubchem18666,acmc-1b0ix |
| IUPAC Name | 1-(bromomethyl)-4-methylsulfonylbenzene |
| InChI Key | HGKPAXHJTMHWAH-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrO2S |
| PubChem CID | 2782670 |
|---|---|
| CAS | 182344-18-9 |
| Molecular Weight (g/mol) | 224.37 |
| MDL Number | MFCD00797335 |
| Color | White |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=C(C=CC(=C1)C(F)(F)F)Cl)(O)O |
| TSCA | No |
| IUPAC Name | [2-chloro-5-(trifluoromethyl)phenyl]boronic acid |
| InChI Key | YVMXEHZEYONARR-UHFFFAOYSA-N |
| Molecular Formula | C7H5BClF3O2 |
| Formula Weight | 224.37 |
| Melting Point | 108°C |
3,5-Bis(trifluoromethyl)benzenethiol 96.0+%, TCI America™
CAS: 130783-02-7 Molecular Formula: C8H4F6S Molecular Weight (g/mol): 246.17 MDL Number: MFCD00042273 InChI Key: KCAQWPZIMLLEAF-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzenethiol,3,5-bis trifluoromethyl thiophenol,3,5-bis trifluoromethyl benzene-1-thiol,pubchem15275,acmc-209bji,3,5-bis trifluoromethyl-benzenethiol,3,5-bis trifluoromethyl benzenethiol # PubChem CID: 518690 IUPAC Name: 3,5-bis(trifluoromethyl)benzenethiol SMILES: C1=C(C=C(C=C1C(F)(F)F)S)C(F)(F)F
| PubChem CID | 518690 |
|---|---|
| CAS | 130783-02-7 |
| Molecular Weight (g/mol) | 246.17 |
| MDL Number | MFCD00042273 |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)S)C(F)(F)F |
| Synonym | 3,5-bis trifluoromethyl benzenethiol,3,5-bis trifluoromethyl thiophenol,3,5-bis trifluoromethyl benzene-1-thiol,pubchem15275,acmc-209bji,3,5-bis trifluoromethyl-benzenethiol,3,5-bis trifluoromethyl benzenethiol # |
| IUPAC Name | 3,5-bis(trifluoromethyl)benzenethiol |
| InChI Key | KCAQWPZIMLLEAF-UHFFFAOYSA-N |
| Molecular Formula | C8H4F6S |
4-Fluoro-DL-mandelic Acid 96.0+%, TCI America™
CAS: 395-33-5 Molecular Formula: C8H7FO3 Molecular Weight (g/mol): 170.14 MDL Number: MFCD00044402,MFCD20638902 InChI Key: RWCMOQXHIDWDDJ-UHFFFAOYNA-N Synonym: 4-fluoromandelic acid,2-4-fluorophenyl-2-hydroxyacetic acid,p-fluoro mandelic acid,4-fluorophenyl hydroxy acetic acid,p-fluoromandelic acid,4-fluoro mandelic acid,4-fluoromandelicacid,4-fluoro-alpha-hydroxybenzeneacetic acid,4-fluoro-dl-mandelic acid,4-fluoro hydroxy acetic acid PubChem CID: 98068 IUPAC Name: 2-(4-fluorophenyl)-2-hydroxyacetic acid SMILES: OC(C(O)=O)C1=CC=C(F)C=C1
| PubChem CID | 98068 |
|---|---|
| CAS | 395-33-5 |
| Molecular Weight (g/mol) | 170.14 |
| MDL Number | MFCD00044402,MFCD20638902 |
| SMILES | OC(C(O)=O)C1=CC=C(F)C=C1 |
| Synonym | 4-fluoromandelic acid,2-4-fluorophenyl-2-hydroxyacetic acid,p-fluoro mandelic acid,4-fluorophenyl hydroxy acetic acid,p-fluoromandelic acid,4-fluoro mandelic acid,4-fluoromandelicacid,4-fluoro-alpha-hydroxybenzeneacetic acid,4-fluoro-dl-mandelic acid,4-fluoro hydroxy acetic acid |
| IUPAC Name | 2-(4-fluorophenyl)-2-hydroxyacetic acid |
| InChI Key | RWCMOQXHIDWDDJ-UHFFFAOYNA-N |
| Molecular Formula | C8H7FO3 |
2,4-Difluorobenzyl Bromide 98.0+%, TCI America™
CAS: 23915-07-3 Molecular Formula: C7H5BrF2 Molecular Weight (g/mol): 207.018 MDL Number: MFCD00011649 InChI Key: IBLMYGXJKQIGSN-UHFFFAOYSA-N Synonym: 2,4-difluorobenzyl bromide,1-bromomethyl-2,4-difluorobenzene,2,4-difluorobenzylbromide,alpha-bromo-2,4-difluorotoluene,benzene, 1-bromomethyl-2,4-difluoro,2,4-difluoro benzyl bromide,1-bromomethyl-2,4-difluoro-benzene,2-chloromethyl quinoline hcl salt,fr cf d1e,pubchem4911 PubChem CID: 90297 IUPAC Name: 1-(bromomethyl)-2,4-difluorobenzene SMILES: C1=CC(=C(C=C1F)F)CBr
| PubChem CID | 90297 |
|---|---|
| CAS | 23915-07-3 |
| Molecular Weight (g/mol) | 207.018 |
| MDL Number | MFCD00011649 |
| SMILES | C1=CC(=C(C=C1F)F)CBr |
| Synonym | 2,4-difluorobenzyl bromide,1-bromomethyl-2,4-difluorobenzene,2,4-difluorobenzylbromide,alpha-bromo-2,4-difluorotoluene,benzene, 1-bromomethyl-2,4-difluoro,2,4-difluoro benzyl bromide,1-bromomethyl-2,4-difluoro-benzene,2-chloromethyl quinoline hcl salt,fr cf d1e,pubchem4911 |
| IUPAC Name | 1-(bromomethyl)-2,4-difluorobenzene |
| InChI Key | IBLMYGXJKQIGSN-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrF2 |
(2,4-Difluorophenyl)thiourea 98.0+%, TCI America™
CAS: 175277-76-6 Molecular Formula: C7H6F2N2S Molecular Weight (g/mol): 188.196 MDL Number: MFCD00041150 InChI Key: DZZSKQFBAGZNSH-UHFFFAOYSA-N Synonym: 2,4-difluorophenyl thiourea,1-2,4-difluorophenyl thiourea,1-2,4-difluorophenyl-2-thiourea,n-2,4-difluorophenyl thiourea,thiourea,n-2,4-difluorophenyl,amino 2,4-difluorophenyl amino methane-1-thione,acmc-1bxvl,buttpark 12118-31,difluorophenylthioacetonitrile,2,4-difluoro-phenyl-thiourea PubChem CID: 2734207 IUPAC Name: (2,4-difluorophenyl)thiourea SMILES: C1=CC(=C(C=C1F)F)NC(=S)N
| PubChem CID | 2734207 |
|---|---|
| CAS | 175277-76-6 |
| Molecular Weight (g/mol) | 188.196 |
| MDL Number | MFCD00041150 |
| SMILES | C1=CC(=C(C=C1F)F)NC(=S)N |
| Synonym | 2,4-difluorophenyl thiourea,1-2,4-difluorophenyl thiourea,1-2,4-difluorophenyl-2-thiourea,n-2,4-difluorophenyl thiourea,thiourea,n-2,4-difluorophenyl,amino 2,4-difluorophenyl amino methane-1-thione,acmc-1bxvl,buttpark 12118-31,difluorophenylthioacetonitrile,2,4-difluoro-phenyl-thiourea |
| IUPAC Name | (2,4-difluorophenyl)thiourea |
| InChI Key | DZZSKQFBAGZNSH-UHFFFAOYSA-N |
| Molecular Formula | C7H6F2N2S |
alpha,alpha,alpha',alpha',4-Pentabromo-o-xylene 97.0+%, TCI America™
CAS: 4235-46-5 Molecular Formula: C8H5Br5 Molecular Weight (g/mol): 500.65 MDL Number: MFCD00465850 InChI Key: MSKRZYXIEGFYFD-UHFFFAOYSA-N Synonym: 4-Bromo-1,2-bis(dibromomethyl)benzene PubChem CID: 5151205 IUPAC Name: 4-bromo-1,2-bis(dibromomethyl)benzene SMILES: BrC(Br)C1=C(C=C(Br)C=C1)C(Br)Br
| PubChem CID | 5151205 |
|---|---|
| CAS | 4235-46-5 |
| Molecular Weight (g/mol) | 500.65 |
| MDL Number | MFCD00465850 |
| SMILES | BrC(Br)C1=C(C=C(Br)C=C1)C(Br)Br |
| Synonym | 4-Bromo-1,2-bis(dibromomethyl)benzene |
| IUPAC Name | 4-bromo-1,2-bis(dibromomethyl)benzene |
| InChI Key | MSKRZYXIEGFYFD-UHFFFAOYSA-N |
| Molecular Formula | C8H5Br5 |
2,3,4,5-Tetrachlorobenzoyl Chloride 98.0+%, TCI America™
CAS: 42221-52-3 Molecular Formula: C7HCl5O Molecular Weight (g/mol): 278.33 MDL Number: MFCD08460213 InChI Key: IROWIXYGGPOJFJ-UHFFFAOYSA-N PubChem CID: 5463797 IUPAC Name: 2,3,4,5-tetrachlorobenzoyl chloride SMILES: ClC(=O)C1=CC(Cl)=C(Cl)C(Cl)=C1Cl
| PubChem CID | 5463797 |
|---|---|
| CAS | 42221-52-3 |
| Molecular Weight (g/mol) | 278.33 |
| MDL Number | MFCD08460213 |
| SMILES | ClC(=O)C1=CC(Cl)=C(Cl)C(Cl)=C1Cl |
| IUPAC Name | 2,3,4,5-tetrachlorobenzoyl chloride |
| InChI Key | IROWIXYGGPOJFJ-UHFFFAOYSA-N |
| Molecular Formula | C7HCl5O |
4-Bromo-2-fluoro-N-methylbenzamide 98.0+%, TCI America™
CAS: 749927-69-3 Molecular Formula: C8H7BrFNO Molecular Weight (g/mol): 232.052 MDL Number: MFCD09878362 InChI Key: BAJCFNRLEJHPTQ-UHFFFAOYSA-N PubChem CID: 24694329 IUPAC Name: 4-bromo-2-fluoro-N-methylbenzamide SMILES: CNC(=O)C1=C(C=C(C=C1)Br)F
| PubChem CID | 24694329 |
|---|---|
| CAS | 749927-69-3 |
| Molecular Weight (g/mol) | 232.052 |
| MDL Number | MFCD09878362 |
| SMILES | CNC(=O)C1=C(C=C(C=C1)Br)F |
| IUPAC Name | 4-bromo-2-fluoro-N-methylbenzamide |
| InChI Key | BAJCFNRLEJHPTQ-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrFNO |
Tetrakis(4-bromophenyl)methane 95.0+%, TCI America™
CAS: 105309-59-9 Molecular Formula: C25H16Br4 Molecular Weight (g/mol): 636.019 MDL Number: MFCD19688472 InChI Key: YBGIIZGNEOJSRF-UHFFFAOYSA-N PubChem CID: 11250692 IUPAC Name: 1-bromo-4-[tris(4-bromophenyl)methyl]benzene SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Br)(C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Br
| PubChem CID | 11250692 |
|---|---|
| CAS | 105309-59-9 |
| Molecular Weight (g/mol) | 636.019 |
| MDL Number | MFCD19688472 |
| SMILES | C1=CC(=CC=C1C(C2=CC=C(C=C2)Br)(C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Br |
| IUPAC Name | 1-bromo-4-[tris(4-bromophenyl)methyl]benzene |
| InChI Key | YBGIIZGNEOJSRF-UHFFFAOYSA-N |
| Molecular Formula | C25H16Br4 |