Benzenoids
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3,4,5-Trimethoxyaniline, 98+%
CAS: 24313-88-0 Molecular Formula: C9H13NO3 Molecular Weight (g/mol): 183.207 MDL Number: MFCD00008393 InChI Key: XEFRNCLPPFDWAC-UHFFFAOYSA-N Synonym: benzenamine, 3,4,5-trimethoxy,3,4,5-trimethoxy aniline,3,4,5-trimethoxybenzenamine,3,4,5-trimethoxy-phenylamine,3,4,5-trimethoxyphenylamine,3,5-trimethoxyaniline,3,4,5-trimethoxyanilin,acmc-1cdy7,intermediates-zcf02654,3,4,5-trimethoxyaniline PubChem CID: 32285 IUPAC Name: 3,4,5-trimethoxyaniline SMILES: COC1=CC(=CC(=C1OC)OC)N
| PubChem CID | 32285 |
|---|---|
| CAS | 24313-88-0 |
| Molecular Weight (g/mol) | 183.207 |
| MDL Number | MFCD00008393 |
| SMILES | COC1=CC(=CC(=C1OC)OC)N |
| Synonym | benzenamine, 3,4,5-trimethoxy,3,4,5-trimethoxy aniline,3,4,5-trimethoxybenzenamine,3,4,5-trimethoxy-phenylamine,3,4,5-trimethoxyphenylamine,3,5-trimethoxyaniline,3,4,5-trimethoxyanilin,acmc-1cdy7,intermediates-zcf02654,3,4,5-trimethoxyaniline |
| IUPAC Name | 3,4,5-trimethoxyaniline |
| InChI Key | XEFRNCLPPFDWAC-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO3 |
2,4,6-Trimethoxytoluene, 97%
CAS: 14107-97-2 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.219 MDL Number: MFCD00008375 InChI Key: TZPKFPYZCMHDHL-UHFFFAOYSA-N PubChem CID: 84201 IUPAC Name: 1,3,5-trimethoxy-2-methylbenzene SMILES: CC1=C(C=C(C=C1OC)OC)OC
| PubChem CID | 84201 |
|---|---|
| CAS | 14107-97-2 |
| Molecular Weight (g/mol) | 182.219 |
| MDL Number | MFCD00008375 |
| SMILES | CC1=C(C=C(C=C1OC)OC)OC |
| IUPAC Name | 1,3,5-trimethoxy-2-methylbenzene |
| InChI Key | TZPKFPYZCMHDHL-UHFFFAOYSA-N |
| Molecular Formula | C10H14O3 |
4-Methyl-beta-styrylboronic acid pinacol ester, 98%
CAS: 149777-84-4 Molecular Formula: C15H21BO2 Molecular Weight (g/mol): 244.141 MDL Number: MFCD03788749 InChI Key: HHBWKASJNTZJLB-ZHACJKMWSA-N Synonym: 4-methyl-beta-styrylboronic acid pinacol ester,e-4,4,5,5-tetramethyl-2-4-methylstyryl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-e-2-4-methylphenyl ethenyl-1,3,2-dioxaborolane,4-methyl-b-styrylboronic acid pinacol ester,4-methyl-,a-styrylboronic acid pinacol ester,2-e-4-methylstyryl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,beta-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl 4-methylstyrene PubChem CID: 11042960 IUPAC Name: 4,4,5,5-tetramethyl-2-[(E)-2-(4-methylphenyl)ethenyl]-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C=CC2=CC=C(C=C2)C
| PubChem CID | 11042960 |
|---|---|
| CAS | 149777-84-4 |
| Molecular Weight (g/mol) | 244.141 |
| MDL Number | MFCD03788749 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C=CC2=CC=C(C=C2)C |
| Synonym | 4-methyl-beta-styrylboronic acid pinacol ester,e-4,4,5,5-tetramethyl-2-4-methylstyryl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-e-2-4-methylphenyl ethenyl-1,3,2-dioxaborolane,4-methyl-b-styrylboronic acid pinacol ester,4-methyl-,a-styrylboronic acid pinacol ester,2-e-4-methylstyryl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,beta-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl 4-methylstyrene |
| IUPAC Name | 4,4,5,5-tetramethyl-2-[(E)-2-(4-methylphenyl)ethenyl]-1,3,2-dioxaborolane |
| InChI Key | HHBWKASJNTZJLB-ZHACJKMWSA-N |
| Molecular Formula | C15H21BO2 |
3,5-Difluorobenzenesulfonamide, 98%
CAS: 140480-89-3 Molecular Formula: C6H5F2NO2S Molecular Weight (g/mol): 193.168 MDL Number: MFCD02091379 InChI Key: MKQPOVUFDWKPNO-UHFFFAOYSA-N Synonym: 3,5-difluorobenzenesulphonamide,3,5-difluorobenzene-1-sulfonamide,benzenesulfonamide, 3,5-difluoro,buttpark 27\07-04,fbu,pubchem11783,acmc-20ai3d,d0s6gk,ksc493s5p,3,5-difluorobenzenesulfonamide PubChem CID: 446275 ChEBI: CHEBI:42566 IUPAC Name: 3,5-difluorobenzenesulfonamide SMILES: C1=C(C=C(C=C1F)S(=O)(=O)N)F
| PubChem CID | 446275 |
|---|---|
| CAS | 140480-89-3 |
| Molecular Weight (g/mol) | 193.168 |
| ChEBI | CHEBI:42566 |
| MDL Number | MFCD02091379 |
| SMILES | C1=C(C=C(C=C1F)S(=O)(=O)N)F |
| Synonym | 3,5-difluorobenzenesulphonamide,3,5-difluorobenzene-1-sulfonamide,benzenesulfonamide, 3,5-difluoro,buttpark 27\07-04,fbu,pubchem11783,acmc-20ai3d,d0s6gk,ksc493s5p,3,5-difluorobenzenesulfonamide |
| IUPAC Name | 3,5-difluorobenzenesulfonamide |
| InChI Key | MKQPOVUFDWKPNO-UHFFFAOYSA-N |
| Molecular Formula | C6H5F2NO2S |
2-Fluoro-4-nitrobenzoic acid, 98%
CAS: 403-24-7 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00275565 InChI Key: MMWFMFZFCKADEL-UHFFFAOYSA-N Synonym: 2-fluoro-4-nitrobenzoic acid,2-fluoro-4-nitrobenzenecarboxylic acid,2-fluoro-4-nitrobenzoicacid,2-fluoro-4-nitro-benzoic acid,4-carboxy-3-fluoronitrobenzene,benzoic acid, 2-fluoro-4-nitro,pubchem1310,acmc-1cts9,2-fluoro4-nitrobenzoic acid,2-fluor-4-nitro-benzoesaure PubChem CID: 302679 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)O
| PubChem CID | 302679 |
|---|---|
| CAS | 403-24-7 |
| Molecular Weight (g/mol) | 185.11 |
| MDL Number | MFCD00275565 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)O |
| Synonym | 2-fluoro-4-nitrobenzoic acid,2-fluoro-4-nitrobenzenecarboxylic acid,2-fluoro-4-nitrobenzoicacid,2-fluoro-4-nitro-benzoic acid,4-carboxy-3-fluoronitrobenzene,benzoic acid, 2-fluoro-4-nitro,pubchem1310,acmc-1cts9,2-fluoro4-nitrobenzoic acid,2-fluor-4-nitro-benzoesaure |
| InChI Key | MMWFMFZFCKADEL-UHFFFAOYSA-N |
| Molecular Formula | C7H4FNO4 |
2-Iodo-3-methylbenzoic acid, 98%
CAS: 108078-14-4 Molecular Formula: C8H7IO2 Molecular Weight (g/mol): 262.046 MDL Number: MFCD00079764 InChI Key: PZUXUOZSSYKAMX-UHFFFAOYSA-N Synonym: 2-iodo-m-toluic acid,benzoic acid,2-iodo-3-methyl,2-iodo-3-methyl-benzoic acid,pubchem12741,acmc-1bsuz,3-methyl-2-iodobenzoic acid,2-iodo-3-methyl benzoic acid,buttpark 148\07-11,2-iodo-3-methylbenzoic acid PubChem CID: 2759365 IUPAC Name: 2-iodo-3-methylbenzoic acid SMILES: CC1=CC=CC(=C1I)C(=O)O
| PubChem CID | 2759365 |
|---|---|
| CAS | 108078-14-4 |
| Molecular Weight (g/mol) | 262.046 |
| MDL Number | MFCD00079764 |
| SMILES | CC1=CC=CC(=C1I)C(=O)O |
| Synonym | 2-iodo-m-toluic acid,benzoic acid,2-iodo-3-methyl,2-iodo-3-methyl-benzoic acid,pubchem12741,acmc-1bsuz,3-methyl-2-iodobenzoic acid,2-iodo-3-methyl benzoic acid,buttpark 148\07-11,2-iodo-3-methylbenzoic acid |
| IUPAC Name | 2-iodo-3-methylbenzoic acid |
| InChI Key | PZUXUOZSSYKAMX-UHFFFAOYSA-N |
| Molecular Formula | C8H7IO2 |
3-(Trifluoromethoxy)thiophenol, 98%
CAS: 220239-66-7 Molecular Formula: C7H5F3OS Molecular Weight (g/mol): 194.171 MDL Number: MFCD01320799 InChI Key: GEJGGOYNWFQKKH-UHFFFAOYSA-N PubChem CID: 2777357 IUPAC Name: 3-(trifluoromethoxy)benzenethiol SMILES: C1=CC(=CC(=C1)S)OC(F)(F)F
| PubChem CID | 2777357 |
|---|---|
| CAS | 220239-66-7 |
| Molecular Weight (g/mol) | 194.171 |
| MDL Number | MFCD01320799 |
| SMILES | C1=CC(=CC(=C1)S)OC(F)(F)F |
| IUPAC Name | 3-(trifluoromethoxy)benzenethiol |
| InChI Key | GEJGGOYNWFQKKH-UHFFFAOYSA-N |
| Molecular Formula | C7H5F3OS |
4-(Cyanomethyl)benzeneboronic acid, 95%
CAS: 91983-26-5 Molecular Formula: C8H8BNO2 Molecular Weight (g/mol): 160.967 MDL Number: MFCD01632200 InChI Key: YKVMTTIYBSVPEQ-UHFFFAOYSA-N Synonym: 4-cyanomethyl benzeneboronic acid,4-cyanomethyl phenyl boronic acid,4-cyanomethylphenylboronic acid,4-cyanomethylphenyl boronic acid,4-cyanomethyl phenylboronic acid,4-boronophenylacetonitrile,boronic acid, 4-cyanomethyl phenyl,pubchem7789,acmc-209ree PubChem CID: 2773342 IUPAC Name: [4-(cyanomethyl)phenyl]boronic acid SMILES: B(C1=CC=C(C=C1)CC#N)(O)O
| PubChem CID | 2773342 |
|---|---|
| CAS | 91983-26-5 |
| Molecular Weight (g/mol) | 160.967 |
| MDL Number | MFCD01632200 |
| SMILES | B(C1=CC=C(C=C1)CC#N)(O)O |
| Synonym | 4-cyanomethyl benzeneboronic acid,4-cyanomethyl phenyl boronic acid,4-cyanomethylphenylboronic acid,4-cyanomethylphenyl boronic acid,4-cyanomethyl phenylboronic acid,4-boronophenylacetonitrile,boronic acid, 4-cyanomethyl phenyl,pubchem7789,acmc-209ree |
| IUPAC Name | [4-(cyanomethyl)phenyl]boronic acid |
| InChI Key | YKVMTTIYBSVPEQ-UHFFFAOYSA-N |
| Molecular Formula | C8H8BNO2 |
2-(2-Fluorophenyl)ethanol, 99%
CAS: 50919-06-7 Molecular Formula: C8H9FO Molecular Weight (g/mol): 140.16 MDL Number: MFCD00002887 InChI Key: HNIGZVZDWCTFPR-UHFFFAOYSA-N Synonym: 2-fluorophenethyl alcohol,2-2-fluorophenyl ethanol,2-2-fluorophenyl ethan-1-ol,benzeneethanol, 2-fluoro,2-fluorophenethylalcohol,2-2-fluoro-phenyl-ethanol,2-fluorobenzeneethanol,acmc-1axdv,o-fluorophenethyl alcohol,2-fluorophenylethyl alcohol PubChem CID: 2733296 IUPAC Name: 2-(2-fluorophenyl)ethanol SMILES: OCCC1=CC=CC=C1F
| PubChem CID | 2733296 |
|---|---|
| CAS | 50919-06-7 |
| Molecular Weight (g/mol) | 140.16 |
| MDL Number | MFCD00002887 |
| SMILES | OCCC1=CC=CC=C1F |
| Synonym | 2-fluorophenethyl alcohol,2-2-fluorophenyl ethanol,2-2-fluorophenyl ethan-1-ol,benzeneethanol, 2-fluoro,2-fluorophenethylalcohol,2-2-fluoro-phenyl-ethanol,2-fluorobenzeneethanol,acmc-1axdv,o-fluorophenethyl alcohol,2-fluorophenylethyl alcohol |
| IUPAC Name | 2-(2-fluorophenyl)ethanol |
| InChI Key | HNIGZVZDWCTFPR-UHFFFAOYSA-N |
| Molecular Formula | C8H9FO |
Ethyl 2-fluorophenylacetate, 99%, Thermo Scientific Chemicals
CAS: 584-74-7 Molecular Formula: C10H11FO2 Molecular Weight (g/mol): 182.194 MDL Number: MFCD04039343 InChI Key: OFWMNCYZASDVSS-UHFFFAOYSA-N Synonym: ethyl 2-2-fluorophenyl acetate,ethyl 2-fluorophenylacetate,ethyl 2-fluorophenyl acetate,2-fluorophenylacetic acid ethyl ester,benzeneacetic acid, 2-fluoro-, ethyl ester,acmc-209uz7,ethyl 2-fluorobenzeneacetate PubChem CID: 7578179 IUPAC Name: ethyl 2-(2-fluorophenyl)acetate SMILES: CCOC(=O)CC1=CC=CC=C1F
| PubChem CID | 7578179 |
|---|---|
| CAS | 584-74-7 |
| Molecular Weight (g/mol) | 182.194 |
| MDL Number | MFCD04039343 |
| SMILES | CCOC(=O)CC1=CC=CC=C1F |
| Synonym | ethyl 2-2-fluorophenyl acetate,ethyl 2-fluorophenylacetate,ethyl 2-fluorophenyl acetate,2-fluorophenylacetic acid ethyl ester,benzeneacetic acid, 2-fluoro-, ethyl ester,acmc-209uz7,ethyl 2-fluorobenzeneacetate |
| IUPAC Name | ethyl 2-(2-fluorophenyl)acetate |
| InChI Key | OFWMNCYZASDVSS-UHFFFAOYSA-N |
| Molecular Formula | C10H11FO2 |
(1S,2S)-(+)-2-Benzyloxycyclohexyl isothiocyanate, 97%
CAS: 737000-89-4 Molecular Formula: C14H17NOS Molecular Weight (g/mol): 247.356 MDL Number: MFCD05664047 InChI Key: DNRPSBSMXLYTQF-KBPBESRZSA-N Synonym: 1s,2s-+-2-benzyloxycyclohexyl isothiocyanate,1s,2s-2-isothiocyanatocyclohexyl oxy methyl benzene,1s,2s-2-phenylmethoxy cyclohexanisothiocyanate PubChem CID: 11863573 IUPAC Name: [(1S,2S)-2-isothiocyanatocyclohexyl]oxymethylbenzene SMILES: C1CCC(C(C1)N=C=S)OCC2=CC=CC=C2
| PubChem CID | 11863573 |
|---|---|
| CAS | 737000-89-4 |
| Molecular Weight (g/mol) | 247.356 |
| MDL Number | MFCD05664047 |
| SMILES | C1CCC(C(C1)N=C=S)OCC2=CC=CC=C2 |
| Synonym | 1s,2s-+-2-benzyloxycyclohexyl isothiocyanate,1s,2s-2-isothiocyanatocyclohexyl oxy methyl benzene,1s,2s-2-phenylmethoxy cyclohexanisothiocyanate |
| IUPAC Name | [(1S,2S)-2-isothiocyanatocyclohexyl]oxymethylbenzene |
| InChI Key | DNRPSBSMXLYTQF-KBPBESRZSA-N |
| Molecular Formula | C14H17NOS |
2-Chloro-5-(trifluoromethyl)benzeneboronic acid, 96%
CAS: 182344-18-9 Molecular Formula: C7H5BClF3O2 Molecular Weight (g/mol): 224.37 MDL Number: MFCD00797335 InChI Key: YVMXEHZEYONARR-UHFFFAOYSA-N Synonym: 2-chloro-5-trifluoromethyl phenylboronic acid,2-chloro-5-trifluoromethyl benzeneboronic acid,2-chloro-5-trifluoromethylphenylboronic acid,2-chloro-5-trifluoromethyl phenyl boronic acid,2-chloro-5-trifluoromethyl phenylboronicacid,boronic acid, 2-chloro-5-trifluoromethyl phenyl,pubchem1800,acmc-1c23a,ksc489k6p PubChem CID: 2782670 IUPAC Name: [2-chloro-5-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=C(C=CC(=C1)C(F)(F)F)Cl)(O)O
| PubChem CID | 2782670 |
|---|---|
| CAS | 182344-18-9 |
| Molecular Weight (g/mol) | 224.37 |
| MDL Number | MFCD00797335 |
| SMILES | B(C1=C(C=CC(=C1)C(F)(F)F)Cl)(O)O |
| Synonym | 2-chloro-5-trifluoromethyl phenylboronic acid,2-chloro-5-trifluoromethyl benzeneboronic acid,2-chloro-5-trifluoromethylphenylboronic acid,2-chloro-5-trifluoromethyl phenyl boronic acid,2-chloro-5-trifluoromethyl phenylboronicacid,boronic acid, 2-chloro-5-trifluoromethyl phenyl,pubchem1800,acmc-1c23a,ksc489k6p |
| IUPAC Name | [2-chloro-5-(trifluoromethyl)phenyl]boronic acid |
| InChI Key | YVMXEHZEYONARR-UHFFFAOYSA-N |
| Molecular Formula | C7H5BClF3O2 |
2-Isopropylbenzeneboronic acid, 97%
CAS: 89787-12-2 Molecular Formula: C9H13BO2 Molecular Weight (g/mol): 164.01 MDL Number: MFCD03411937 InChI Key: KTZUVUWIBZMHMC-UHFFFAOYSA-N Synonym: 2-isopropylphenylboronic acid,2-isopropylphenyl boronic acid,2-isopropylbenzeneboronic acid,2-cumylboronic acid,2-propan-2-ylphenyl boronic acid,o-isopropylphenylboronic acid,2-isopropylphenboronic acid,2-isopropylphenyboronic acid,2-propan-2-yl phenyl boronic acid,boronic acid, 2-1-methylethyl phenyl PubChem CID: 2773477 IUPAC Name: (2-propan-2-ylphenyl)boronic acid SMILES: CC(C)C1=CC=CC=C1B(O)O
| PubChem CID | 2773477 |
|---|---|
| CAS | 89787-12-2 |
| Molecular Weight (g/mol) | 164.01 |
| MDL Number | MFCD03411937 |
| SMILES | CC(C)C1=CC=CC=C1B(O)O |
| Synonym | 2-isopropylphenylboronic acid,2-isopropylphenyl boronic acid,2-isopropylbenzeneboronic acid,2-cumylboronic acid,2-propan-2-ylphenyl boronic acid,o-isopropylphenylboronic acid,2-isopropylphenboronic acid,2-isopropylphenyboronic acid,2-propan-2-yl phenyl boronic acid,boronic acid, 2-1-methylethyl phenyl |
| IUPAC Name | (2-propan-2-ylphenyl)boronic acid |
| InChI Key | KTZUVUWIBZMHMC-UHFFFAOYSA-N |
| Molecular Formula | C9H13BO2 |
2-Chloro-4-(trifluoromethyl)benzeneboronic acid, 96%
CAS: 254993-59-4 Molecular Formula: C7H5BClF3O2 Molecular Weight (g/mol): 224.37 MDL Number: MFCD02684337 InChI Key: JKSUCAFAUNSPLO-UHFFFAOYSA-N Synonym: 2-chloro-4-trifluoromethyl phenylboronic acid,2-chloro-4-trifluoromethylphenylboronic acid,2-chloro-4-trifluoromethyl benzeneboronic acid,2-chloro-4-trifluoromethyl phenyl boronic acid,2-chloro-4-trifluoromethyl phenylboronicacid,2-chloro-4-trifluoromethylphenyl boronic acid,boronic acid, 2-chloro-4-trifluoromethyl phenyl,2-fluoro-4-iodophenylboronicacid PubChem CID: 2783251 IUPAC Name: [2-chloro-4-(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=C(Cl)C=C(C=C1)C(F)(F)F
| PubChem CID | 2783251 |
|---|---|
| CAS | 254993-59-4 |
| Molecular Weight (g/mol) | 224.37 |
| MDL Number | MFCD02684337 |
| SMILES | OB(O)C1=C(Cl)C=C(C=C1)C(F)(F)F |
| Synonym | 2-chloro-4-trifluoromethyl phenylboronic acid,2-chloro-4-trifluoromethylphenylboronic acid,2-chloro-4-trifluoromethyl benzeneboronic acid,2-chloro-4-trifluoromethyl phenyl boronic acid,2-chloro-4-trifluoromethyl phenylboronicacid,2-chloro-4-trifluoromethylphenyl boronic acid,boronic acid, 2-chloro-4-trifluoromethyl phenyl,2-fluoro-4-iodophenylboronicacid |
| IUPAC Name | [2-chloro-4-(trifluoromethyl)phenyl]boronic acid |
| InChI Key | JKSUCAFAUNSPLO-UHFFFAOYSA-N |
| Molecular Formula | C7H5BClF3O2 |
4-Bromo-2-fluorobenzoyl chloride, 98%
CAS: 151982-51-3 Molecular Formula: C7H3BrClFO Molecular Weight (g/mol): 237.452 MDL Number: MFCD03411584 InChI Key: PCFIABOQFAFDAU-UHFFFAOYSA-N PubChem CID: 2734026 IUPAC Name: 4-bromo-2-fluorobenzoyl chloride SMILES: C1=CC(=C(C=C1Br)F)C(=O)Cl
| PubChem CID | 2734026 |
|---|---|
| CAS | 151982-51-3 |
| Molecular Weight (g/mol) | 237.452 |
| MDL Number | MFCD03411584 |
| SMILES | C1=CC(=C(C=C1Br)F)C(=O)Cl |
| IUPAC Name | 4-bromo-2-fluorobenzoyl chloride |
| InChI Key | PCFIABOQFAFDAU-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrClFO |