Benzene and substituted derivatives
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1,3-Dimethoxybenzene, 99%
CAS: 151-10-0 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00008384 InChI Key: DPZNOMCNRMUKPS-UHFFFAOYSA-N Synonym: m-dimethoxybenzene,resorcinol dimethyl ether,benzene, 1,3-dimethoxy,3-methoxyanisole,benzene, m-dimethoxy,dimethyl resorcinol,m-methoxyanisole,dimethylresorcinol,methoxyanisole, m,dimethylether resorcinolu PubChem CID: 9025 IUPAC Name: 1,3-dimethoxybenzene SMILES: COC1=CC(OC)=CC=C1
| PubChem CID | 9025 |
|---|---|
| CAS | 151-10-0 |
| Molecular Weight (g/mol) | 138.17 |
| MDL Number | MFCD00008384 |
| SMILES | COC1=CC(OC)=CC=C1 |
| Synonym | m-dimethoxybenzene,resorcinol dimethyl ether,benzene, 1,3-dimethoxy,3-methoxyanisole,benzene, m-dimethoxy,dimethyl resorcinol,m-methoxyanisole,dimethylresorcinol,methoxyanisole, m,dimethylether resorcinolu |
| IUPAC Name | 1,3-dimethoxybenzene |
| InChI Key | DPZNOMCNRMUKPS-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
Methallyl phenyl ether, 96%
CAS: 5820-22-4 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.21 MDL Number: MFCD00008597 InChI Key: LECDNXOCIPRJNJ-UHFFFAOYSA-N Synonym: methallyl phenyl ether,2-methylallyloxy benzene,ether, 2-methylallyl phenyl,benzene, 2-methyl-2-propenyl oxy,2-methylallyl phenyl ether,2-methylprop-2-en-1-yl oxy benzene,2-methyl-2-propen-1-yl oxy benzene,phenyl-methallyl ether,acmc-1b20w PubChem CID: 79893 IUPAC Name: 2-methylprop-2-enoxybenzene SMILES: CC(=C)COC1=CC=CC=C1
| PubChem CID | 79893 |
|---|---|
| CAS | 5820-22-4 |
| Molecular Weight (g/mol) | 148.21 |
| MDL Number | MFCD00008597 |
| SMILES | CC(=C)COC1=CC=CC=C1 |
| Synonym | methallyl phenyl ether,2-methylallyloxy benzene,ether, 2-methylallyl phenyl,benzene, 2-methyl-2-propenyl oxy,2-methylallyl phenyl ether,2-methylprop-2-en-1-yl oxy benzene,2-methyl-2-propen-1-yl oxy benzene,phenyl-methallyl ether,acmc-1b20w |
| IUPAC Name | 2-methylprop-2-enoxybenzene |
| InChI Key | LECDNXOCIPRJNJ-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
3-(tert-Butyldimethylsilyloxy)phenylboronic acid, 96+%, Thermo Scientific Chemicals
CAS: 261621-12-9 Molecular Formula: C12H21BO3Si Molecular Weight (g/mol): 252.19 MDL Number: MFCD03701505 InChI Key: RDQWADDNQONTLB-UHFFFAOYSA-N Synonym: 3-tert-butyldimethylsilyl oxy phenyl boronic acid,3-tert-butyldimethylsilyloxy phenylboronic acid,3-t-butyldimethylsilyloxy phenylboronic acid,3-tert-butyl dimethylsiloxy phenyl boronic acid,3-tert-butyldimethylsilyloxy benzeneboronic acid,3-tert-butyldimethylsiloxy benzeneboronic acid,3-tert-butyldimethylsilyl oxy phenylboronic acid,3-tert-butyl dimethyl silyl oxyphenyl boronic acid,m-t-butyldimethylsilyloxy phenylboronic acid,3-t-butyl dimethylsiloxy phenyl boronic acid PubChem CID: 3463029 IUPAC Name: [3-[tert-butyl(dimethyl)silyl]oxyphenyl]boronic acid SMILES: CC(C)(C)[Si](C)(C)OC1=CC=CC(=C1)B(O)O
| PubChem CID | 3463029 |
|---|---|
| CAS | 261621-12-9 |
| Molecular Weight (g/mol) | 252.19 |
| MDL Number | MFCD03701505 |
| SMILES | CC(C)(C)[Si](C)(C)OC1=CC=CC(=C1)B(O)O |
| Synonym | 3-tert-butyldimethylsilyl oxy phenyl boronic acid,3-tert-butyldimethylsilyloxy phenylboronic acid,3-t-butyldimethylsilyloxy phenylboronic acid,3-tert-butyl dimethylsiloxy phenyl boronic acid,3-tert-butyldimethylsilyloxy benzeneboronic acid,3-tert-butyldimethylsiloxy benzeneboronic acid,3-tert-butyldimethylsilyl oxy phenylboronic acid,3-tert-butyl dimethyl silyl oxyphenyl boronic acid,m-t-butyldimethylsilyloxy phenylboronic acid,3-t-butyl dimethylsiloxy phenyl boronic acid |
| IUPAC Name | [3-[tert-butyl(dimethyl)silyl]oxyphenyl]boronic acid |
| InChI Key | RDQWADDNQONTLB-UHFFFAOYSA-N |
| Molecular Formula | C12H21BO3Si |
4-n-Butoxybenzoic acid, 98%
CAS: 1498-96-0 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00002546 InChI Key: LAUFPZPAKULAGB-UHFFFAOYSA-N Synonym: p-butoxybenzoic acid,4-n-butoxybenzoic acid,benzoic acid, 4-butoxy,benzoic acid, p-butoxy,p-butyloxybenzoic acid,4-butoxy-benzoic acid,4-butyloxybenzoic acid,p-n-butoxybenzoic acid,p-n-butyloxybenzoic acid,4-n-butyloxybenzoic acid PubChem CID: 72971 IUPAC Name: 4-butoxybenzoic acid SMILES: CCCCOC1=CC=C(C=C1)C(=O)O
| PubChem CID | 72971 |
|---|---|
| CAS | 1498-96-0 |
| Molecular Weight (g/mol) | 194.23 |
| MDL Number | MFCD00002546 |
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)O |
| Synonym | p-butoxybenzoic acid,4-n-butoxybenzoic acid,benzoic acid, 4-butoxy,benzoic acid, p-butoxy,p-butyloxybenzoic acid,4-butoxy-benzoic acid,4-butyloxybenzoic acid,p-n-butoxybenzoic acid,p-n-butyloxybenzoic acid,4-n-butyloxybenzoic acid |
| IUPAC Name | 4-butoxybenzoic acid |
| InChI Key | LAUFPZPAKULAGB-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |
Triphenyl borate, 97%
CAS: 1095-03-0 Molecular Formula: C18H15BO3 Molecular Weight (g/mol): 290.125 MDL Number: MFCD00059011 InChI Key: MDCWDBMBZLORER-UHFFFAOYSA-N Synonym: triphenoxyborane,phenyl borate,triphenoxyboron,boric acid, triphenyl ester,phenyl borate, pho 3 b,trifenylester kyseliny borite,boric acid h3bo3 , triphenyl ester,triphenyl ester boric acid,trifenylester kyseliny borite czech,boric acid triphenyl ester PubChem CID: 14182 IUPAC Name: triphenyl borate SMILES: B(OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3
| PubChem CID | 14182 |
|---|---|
| CAS | 1095-03-0 |
| Molecular Weight (g/mol) | 290.125 |
| MDL Number | MFCD00059011 |
| SMILES | B(OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3 |
| Synonym | triphenoxyborane,phenyl borate,triphenoxyboron,boric acid, triphenyl ester,phenyl borate, pho 3 b,trifenylester kyseliny borite,boric acid h3bo3 , triphenyl ester,triphenyl ester boric acid,trifenylester kyseliny borite czech,boric acid triphenyl ester |
| IUPAC Name | triphenyl borate |
| InChI Key | MDCWDBMBZLORER-UHFFFAOYSA-N |
| Molecular Formula | C18H15BO3 |
2,4-Dichloro-5-isopropoxyaniline, 98%
CAS: 41200-96-8 Molecular Formula: C9H11Cl2NO Molecular Weight (g/mol): 220.093 MDL Number: MFCD00974411 InChI Key: RWRWIICNMOKBIQ-UHFFFAOYSA-N Synonym: 2,4-dichloro-5-isopropoxyaniline,2,4-dichloro-5-2-propyloxy aniline,2,4-dichloro-5-propan-2-yloxy aniline,benzenamine, 2,4-dichloro-5-1-methylethoxy,acmc-20aodr,2,4-dichloro-5-isopropyloxyaniline,2,4-dichloro-5-isopropoxyphenylamine,2,4-dichloro-5-isopropoxy-phenylamine,2,4-dichloro-5-1-methylethoxy aniline,2,4-dichloro-5-methylethoxy phenylamine PubChem CID: 170476 IUPAC Name: 2,4-dichloro-5-propan-2-yloxyaniline SMILES: CC(C)OC1=C(C=C(C(=C1)N)Cl)Cl
| PubChem CID | 170476 |
|---|---|
| CAS | 41200-96-8 |
| Molecular Weight (g/mol) | 220.093 |
| MDL Number | MFCD00974411 |
| SMILES | CC(C)OC1=C(C=C(C(=C1)N)Cl)Cl |
| Synonym | 2,4-dichloro-5-isopropoxyaniline,2,4-dichloro-5-2-propyloxy aniline,2,4-dichloro-5-propan-2-yloxy aniline,benzenamine, 2,4-dichloro-5-1-methylethoxy,acmc-20aodr,2,4-dichloro-5-isopropyloxyaniline,2,4-dichloro-5-isopropoxyphenylamine,2,4-dichloro-5-isopropoxy-phenylamine,2,4-dichloro-5-1-methylethoxy aniline,2,4-dichloro-5-methylethoxy phenylamine |
| IUPAC Name | 2,4-dichloro-5-propan-2-yloxyaniline |
| InChI Key | RWRWIICNMOKBIQ-UHFFFAOYSA-N |
| Molecular Formula | C9H11Cl2NO |
2-Phenoxyethanol, MP Biomedicals™
CAS: 122-99-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N Synonym: phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane PubChem CID: 31236 ChEBI: CHEBI:64275 IUPAC Name: 2-phenoxyethanol SMILES: C1=CC=C(C=C1)OCCO
| PubChem CID | 31236 |
|---|---|
| CAS | 122-99-6 |
| Molecular Weight (g/mol) | 138.166 |
| ChEBI | CHEBI:64275 |
| SMILES | C1=CC=C(C=C1)OCCO |
| Synonym | phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane |
| IUPAC Name | 2-phenoxyethanol |
| InChI Key | QCDWFXQBSFUVSP-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
2,3-Dimethoxytoluene, 98+%
CAS: 4463-33-6 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.193 MDL Number: MFCD00008379 InChI Key: WMXFNCKPYCAIQW-UHFFFAOYSA-N Synonym: 2,3-dimethoxytoluene,3-methylveratrole,benzene, 1,2-dimethoxy-3-methyl,dimethoxytoluene,1,2-dimethoxy-3-methyl-benzene,acmc-1ae12,1-methyl-2,3-dimethoxybenzene,3-methylcatechol, dimethyl ether,# PubChem CID: 78215 IUPAC Name: 1,2-dimethoxy-3-methylbenzene SMILES: CC1=C(C(=CC=C1)OC)OC
| PubChem CID | 78215 |
|---|---|
| CAS | 4463-33-6 |
| Molecular Weight (g/mol) | 152.193 |
| MDL Number | MFCD00008379 |
| SMILES | CC1=C(C(=CC=C1)OC)OC |
| Synonym | 2,3-dimethoxytoluene,3-methylveratrole,benzene, 1,2-dimethoxy-3-methyl,dimethoxytoluene,1,2-dimethoxy-3-methyl-benzene,acmc-1ae12,1-methyl-2,3-dimethoxybenzene,3-methylcatechol, dimethyl ether,# |
| IUPAC Name | 1,2-dimethoxy-3-methylbenzene |
| InChI Key | WMXFNCKPYCAIQW-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
4-Isopropoxybenzoic acid, 99%
CAS: 13205-46-4 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00044318 InChI Key: ZVERWTXKKWSSHH-UHFFFAOYSA-N PubChem CID: 72972 IUPAC Name: 4-propan-2-yloxybenzoic acid SMILES: CC(C)OC1=CC=C(C=C1)C(=O)O
| PubChem CID | 72972 |
|---|---|
| CAS | 13205-46-4 |
| Molecular Weight (g/mol) | 180.203 |
| MDL Number | MFCD00044318 |
| SMILES | CC(C)OC1=CC=C(C=C1)C(=O)O |
| IUPAC Name | 4-propan-2-yloxybenzoic acid |
| InChI Key | ZVERWTXKKWSSHH-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Hydroquinone bis(2-hydroxyethyl)ether, 98+%
CAS: 104-38-1 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00002861 InChI Key: WTPYFJNYAMXZJG-UHFFFAOYSA-N Synonym: hydroquinone bis 2-hydroxyethyl ether,1,4-bis 2-hydroxyethoxy benzene,vernatzer 30/10,2,2'-1,4-phenylenebis oxy diethanol,hydroquinone di 2-hydroxyethyl ether,hydroquinone diethylol ether,2,2'-phenylenedioxy diethanol,2,2'-p-phenylenedioxy diethanol,2,2'-p-phenylenedioxydiethanol,2-4-2-hydroxyethoxy phenoxy ethanol PubChem CID: 66912 IUPAC Name: 2-[4-(2-hydroxyethoxy)phenoxy]ethanol SMILES: C1=CC(=CC=C1OCCO)OCCO
| PubChem CID | 66912 |
|---|---|
| CAS | 104-38-1 |
| Molecular Weight (g/mol) | 198.22 |
| MDL Number | MFCD00002861 |
| SMILES | C1=CC(=CC=C1OCCO)OCCO |
| Synonym | hydroquinone bis 2-hydroxyethyl ether,1,4-bis 2-hydroxyethoxy benzene,vernatzer 30/10,2,2'-1,4-phenylenebis oxy diethanol,hydroquinone di 2-hydroxyethyl ether,hydroquinone diethylol ether,2,2'-phenylenedioxy diethanol,2,2'-p-phenylenedioxy diethanol,2,2'-p-phenylenedioxydiethanol,2-4-2-hydroxyethoxy phenoxy ethanol |
| IUPAC Name | 2-[4-(2-hydroxyethoxy)phenoxy]ethanol |
| InChI Key | WTPYFJNYAMXZJG-UHFFFAOYSA-N |
| Molecular Formula | C10H14O4 |
Phenoxyethanol, Reagent, 99%, Spectrum™ Chemical
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CAS: 122-99-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N IUPAC Name: 2-phenoxyethan-1-ol SMILES: OCCOC1=CC=CC=C1
| CAS | 122-99-6 |
|---|---|
| Molecular Weight (g/mol) | 138.17 |
| SMILES | OCCOC1=CC=CC=C1 |
| IUPAC Name | 2-phenoxyethan-1-ol |
| InChI Key | QCDWFXQBSFUVSP-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
3-Benzyloxybenzoic acid, 98%
CAS: 69026-14-8 Molecular Formula: C14H11O3 Molecular Weight (g/mol): 227.24 MDL Number: MFCD00527901 InChI Key: CISXCTKEQYOZAM-UHFFFAOYSA-M Synonym: 3-benzyloxy benzoic acid,3-benzyloxybenzoic acid,benzoic acid, 3-phenylmethoxy,3-benzyloxy-benzoic acid,3-phenylmethoxy benzoic acid,enamine_004835,acmc-1b5k3 PubChem CID: 309226 IUPAC Name: 3-phenylmethoxybenzoic acid SMILES: [O-]C(=O)C1=CC=CC(OCC2=CC=CC=C2)=C1
| PubChem CID | 309226 |
|---|---|
| CAS | 69026-14-8 |
| Molecular Weight (g/mol) | 227.24 |
| MDL Number | MFCD00527901 |
| SMILES | [O-]C(=O)C1=CC=CC(OCC2=CC=CC=C2)=C1 |
| Synonym | 3-benzyloxy benzoic acid,3-benzyloxybenzoic acid,benzoic acid, 3-phenylmethoxy,3-benzyloxy-benzoic acid,3-phenylmethoxy benzoic acid,enamine_004835,acmc-1b5k3 |
| IUPAC Name | 3-phenylmethoxybenzoic acid |
| InChI Key | CISXCTKEQYOZAM-UHFFFAOYSA-M |
| Molecular Formula | C14H11O3 |
Phenetole, 98+%
CAS: 103-73-1 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00009090 InChI Key: DLRJIFUOBPOJNS-UHFFFAOYSA-N Synonym: phenetole,benzene, ethoxy,ethyl phenyl ether,phenetol,phenyl ethyl ether,phenoxyethane,a phenoxyethane,ether, ethyl phenyl,unii-rb8lu2c57f PubChem CID: 7674 ChEBI: CHEBI:67129 IUPAC Name: ethoxybenzene SMILES: CCOC1=CC=CC=C1
| PubChem CID | 7674 |
|---|---|
| CAS | 103-73-1 |
| Molecular Weight (g/mol) | 122.17 |
| ChEBI | CHEBI:67129 |
| MDL Number | MFCD00009090 |
| SMILES | CCOC1=CC=CC=C1 |
| Synonym | phenetole,benzene, ethoxy,ethyl phenyl ether,phenetol,phenyl ethyl ether,phenoxyethane,a phenoxyethane,ether, ethyl phenyl,unii-rb8lu2c57f |
| IUPAC Name | ethoxybenzene |
| InChI Key | DLRJIFUOBPOJNS-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
3-Ethoxybenzoic acid, 98+%, Thermo Scientific Chemicals
CAS: 621-51-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00016517 InChI Key: DTFQMPQJMDEWKJ-UHFFFAOYSA-N Synonym: 3-ethoxybenzoate,m-ethoxybenzoic acid,benzoic acid, 3-ethoxy,3-ethoxy-benzoic acid,benzoic acid, m-ethoxy,3-ethoxybenzoicacid,3-ethyloxy benzoic acid,3-ethoxybenzoic acid PubChem CID: 12126 ChEBI: CHEBI:27990 IUPAC Name: 3-ethoxybenzoic acid SMILES: CCOC1=CC=CC(=C1)C(=O)O
| PubChem CID | 12126 |
|---|---|
| CAS | 621-51-2 |
| Molecular Weight (g/mol) | 166.176 |
| ChEBI | CHEBI:27990 |
| MDL Number | MFCD00016517 |
| SMILES | CCOC1=CC=CC(=C1)C(=O)O |
| Synonym | 3-ethoxybenzoate,m-ethoxybenzoic acid,benzoic acid, 3-ethoxy,3-ethoxy-benzoic acid,benzoic acid, m-ethoxy,3-ethoxybenzoicacid,3-ethyloxy benzoic acid,3-ethoxybenzoic acid |
| IUPAC Name | 3-ethoxybenzoic acid |
| InChI Key | DTFQMPQJMDEWKJ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
p-Toluenesulfonic acid monohydrate, ACS reagent
CAS: 6192-52-5 InChI Key: KJIFKLIQANRMOU-UHFFFAOYSA-N Synonym: p-toluenesulfonic acid monohydrate,4-methylbenzenesulfonic acid hydrate,4-methylbenzenesulfonic acid monohydrate,p-toluene sulfonic acid monohydrate,unii-3bto78gaff,benzenesulfonic acid, 4-methyl-, monohydrate,ptoluenesulfonic acid,p-toluenesulfonic acid, monohydrate,3bto78gaff,4-methylbenzene-1-sulfonic acid hydrate PubChem CID: 521998 IUPAC Name: 4-methylbenzenesulfonic acid;hydrate SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.O
| PubChem CID | 521998 |
|---|---|
| CAS | 6192-52-5 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.O |
| Synonym | p-toluenesulfonic acid monohydrate,4-methylbenzenesulfonic acid hydrate,4-methylbenzenesulfonic acid monohydrate,p-toluene sulfonic acid monohydrate,unii-3bto78gaff,benzenesulfonic acid, 4-methyl-, monohydrate,ptoluenesulfonic acid,p-toluenesulfonic acid, monohydrate,3bto78gaff,4-methylbenzene-1-sulfonic acid hydrate |
| IUPAC Name | 4-methylbenzenesulfonic acid;hydrate |
| InChI Key | KJIFKLIQANRMOU-UHFFFAOYSA-N |