Benzene and substituted derivatives
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ethyle2-chloro-3,4-dimethoxybenzoate, 97%, Thermo Scientific™
CAS: 175136-04-6 Molecular Formula: C11H13ClO4 Molecular Weight (g/mol): 244.67 MDL Number: MFCD00085062 InChI Key: AXNMDQHZRJDVRG-UHFFFAOYSA-N Synonym: maybridge1_002113 PubChem CID: 2774987 IUPAC Name: ethyl 2-chloro-3,4-dimethoxybenzoate SMILES: CCOC(=O)C1=C(Cl)C(OC)=C(OC)C=C1
| PubChem CID | 2774987 |
|---|---|
| CAS | 175136-04-6 |
| Molecular Weight (g/mol) | 244.67 |
| MDL Number | MFCD00085062 |
| SMILES | CCOC(=O)C1=C(Cl)C(OC)=C(OC)C=C1 |
| Synonym | maybridge1_002113 |
| IUPAC Name | ethyl 2-chloro-3,4-dimethoxybenzoate |
| InChI Key | AXNMDQHZRJDVRG-UHFFFAOYSA-N |
| Molecular Formula | C11H13ClO4 |
4-Bromo-3,5-dimethoxybenzoic acid, 98%
CAS: 56518-42-4 Molecular Formula: C9H8BrO4 Molecular Weight (g/mol): 260.06 MDL Number: MFCD01632140 InChI Key: JNFZULSIYYVRJO-UHFFFAOYSA-M Synonym: benzoic acid, 4-bromo-3,5-dimethoxy,zlchem 1334,acmc-1az7r,jnfzulsiyyvrjo-uhfffaoysa,3,5-dimethoxy-4-bromobenzoic acid,4-bromo-3,5-dimethoxybenzoic acid PubChem CID: 2774026 IUPAC Name: 4-bromo-3,5-dimethoxybenzoic acid SMILES: COC1=CC(=CC(OC)=C1Br)C([O-])=O
| PubChem CID | 2774026 |
|---|---|
| CAS | 56518-42-4 |
| Molecular Weight (g/mol) | 260.06 |
| MDL Number | MFCD01632140 |
| SMILES | COC1=CC(=CC(OC)=C1Br)C([O-])=O |
| Synonym | benzoic acid, 4-bromo-3,5-dimethoxy,zlchem 1334,acmc-1az7r,jnfzulsiyyvrjo-uhfffaoysa,3,5-dimethoxy-4-bromobenzoic acid,4-bromo-3,5-dimethoxybenzoic acid |
| IUPAC Name | 4-bromo-3,5-dimethoxybenzoic acid |
| InChI Key | JNFZULSIYYVRJO-UHFFFAOYSA-M |
| Molecular Formula | C9H8BrO4 |
3-Bromo-5-methoxybenzoic acid, 98%
CAS: 157893-14-6 Molecular Formula: C8H7BrO3 Molecular Weight (g/mol): 231.045 MDL Number: MFCD00266858 InChI Key: DMXJBCHYVUGXEH-UHFFFAOYSA-N Synonym: 3-bromo-5-carboxyanisole,3-bromo-5-methoxybenzoicacid,3-bromo-5-methoxy-benzoic acid,benzoic acid, 3-bromo-5-methoxy,5-bromo-3-methoxybenzoic acid,pubchem16435,acmc-1bx98,ksc529k1f,3-bromo-5-methyloxy benzoic acid PubChem CID: 4060048 IUPAC Name: 3-bromo-5-methoxybenzoic acid SMILES: COC1=CC(=CC(=C1)C(=O)O)Br
| PubChem CID | 4060048 |
|---|---|
| CAS | 157893-14-6 |
| Molecular Weight (g/mol) | 231.045 |
| MDL Number | MFCD00266858 |
| SMILES | COC1=CC(=CC(=C1)C(=O)O)Br |
| Synonym | 3-bromo-5-carboxyanisole,3-bromo-5-methoxybenzoicacid,3-bromo-5-methoxy-benzoic acid,benzoic acid, 3-bromo-5-methoxy,5-bromo-3-methoxybenzoic acid,pubchem16435,acmc-1bx98,ksc529k1f,3-bromo-5-methyloxy benzoic acid |
| IUPAC Name | 3-bromo-5-methoxybenzoic acid |
| InChI Key | DMXJBCHYVUGXEH-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO3 |
Methyl 2-bromo-5-methoxybenzoate, 98%
CAS: 35450-36-3 Molecular Formula: C9H9BrO3 Molecular Weight (g/mol): 245.07 MDL Number: MFCD00051594 InChI Key: VRTQLDFCPNVQNT-UHFFFAOYSA-N Synonym: 2-bromo-5-methoxybenzoic acid methyl ester,2-bromo-5-methoxy-benzoic acid methyl ester,methyl-2-bromo-5-methoxybenzoate,benzoic acid, 2-bromo-5-methoxy-, methyl ester,pubchem3965,acmc-1ahhz,methyl 6-bromo-m-anisate,rarechem al bf 1111,attercop-chm at108617,methyl 2-bromo-5-methoxylbenzoate PubChem CID: 2776849 IUPAC Name: methyl 2-bromo-5-methoxybenzoate SMILES: COC(=O)C1=CC(OC)=CC=C1Br
| PubChem CID | 2776849 |
|---|---|
| CAS | 35450-36-3 |
| Molecular Weight (g/mol) | 245.07 |
| MDL Number | MFCD00051594 |
| SMILES | COC(=O)C1=CC(OC)=CC=C1Br |
| Synonym | 2-bromo-5-methoxybenzoic acid methyl ester,2-bromo-5-methoxy-benzoic acid methyl ester,methyl-2-bromo-5-methoxybenzoate,benzoic acid, 2-bromo-5-methoxy-, methyl ester,pubchem3965,acmc-1ahhz,methyl 6-bromo-m-anisate,rarechem al bf 1111,attercop-chm at108617,methyl 2-bromo-5-methoxylbenzoate |
| IUPAC Name | methyl 2-bromo-5-methoxybenzoate |
| InChI Key | VRTQLDFCPNVQNT-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO3 |
2-Amino-4,5-dimethoxybenzoic acid, 98%
CAS: 5653-40-7 Molecular Formula: C9H11NO4 Molecular Weight (g/mol): 197.19 MDL Number: MFCD00011671 InChI Key: HJVAVGOPTDJYOJ-UHFFFAOYSA-N Synonym: 4,5-dimethoxyanthranilic acid,6-aminoveratric acid,benzoic acid, 2-amino-4,5-dimethoxy,2-amino-4,5-dimethoxy benzoic acid,2-amino-4,5-dimethoxy-benzoic acid,6-aminoveratricacid,zlchem 238,pubchem3110,acmc-1b03r,ksc269i1n PubChem CID: 79736 IUPAC Name: 2-amino-4,5-dimethoxybenzoic acid SMILES: COC1=CC(N)=C(C=C1OC)C(O)=O
| PubChem CID | 79736 |
|---|---|
| CAS | 5653-40-7 |
| Molecular Weight (g/mol) | 197.19 |
| MDL Number | MFCD00011671 |
| SMILES | COC1=CC(N)=C(C=C1OC)C(O)=O |
| Synonym | 4,5-dimethoxyanthranilic acid,6-aminoveratric acid,benzoic acid, 2-amino-4,5-dimethoxy,2-amino-4,5-dimethoxy benzoic acid,2-amino-4,5-dimethoxy-benzoic acid,6-aminoveratricacid,zlchem 238,pubchem3110,acmc-1b03r,ksc269i1n |
| IUPAC Name | 2-amino-4,5-dimethoxybenzoic acid |
| InChI Key | HJVAVGOPTDJYOJ-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO4 |
o-Toluic hydrazide, 98+%
CAS: 7658-80-2 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.181 MDL Number: MFCD00014756 InChI Key: KFXLXEQCRFGDRU-UHFFFAOYSA-N Synonym: o-toluic hydrazide,o-toluic acid hydrazide,o-toluohydrazide,2-toluic hydrazide,2-methyl-benzoic acid hydrazide,benzoylhydrazine, o-methyl,benzoic acid, 2-methyl-, hydrazide,2-methylbenzenecarbohydrazide,methylbenzohydrazide,2-methylbenzhydrazide PubChem CID: 82110 IUPAC Name: 2-methylbenzohydrazide SMILES: CC1=CC=CC=C1C(=O)NN
| PubChem CID | 82110 |
|---|---|
| CAS | 7658-80-2 |
| Molecular Weight (g/mol) | 150.181 |
| MDL Number | MFCD00014756 |
| SMILES | CC1=CC=CC=C1C(=O)NN |
| Synonym | o-toluic hydrazide,o-toluic acid hydrazide,o-toluohydrazide,2-toluic hydrazide,2-methyl-benzoic acid hydrazide,benzoylhydrazine, o-methyl,benzoic acid, 2-methyl-, hydrazide,2-methylbenzenecarbohydrazide,methylbenzohydrazide,2-methylbenzhydrazide |
| IUPAC Name | 2-methylbenzohydrazide |
| InChI Key | KFXLXEQCRFGDRU-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O |
m-Toluic hydrazide, 97%
CAS: 13050-47-0 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.18 MDL Number: MFCD00014760 InChI Key: XFNNAMBYJSQXKF-UHFFFAOYSA-N Synonym: m-toluic acid hydrazide,3-toluic hydrazide,m-toluic hydrazide,m-toluohydrazide,3-methylbenzoylhydrazide,3-methyl-benzoylhydrazide,benzoylhydrazine, m-methyl,3-methyl-benzoic acid hydrazide,benzoic acid, 3-methyl-, hydrazide,3-methylbenzenecarbohydrazide PubChem CID: 83082 IUPAC Name: 3-methylbenzohydrazide SMILES: CC1=CC=CC(=C1)C(=O)NN
| PubChem CID | 83082 |
|---|---|
| CAS | 13050-47-0 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00014760 |
| SMILES | CC1=CC=CC(=C1)C(=O)NN |
| Synonym | m-toluic acid hydrazide,3-toluic hydrazide,m-toluic hydrazide,m-toluohydrazide,3-methylbenzoylhydrazide,3-methyl-benzoylhydrazide,benzoylhydrazine, m-methyl,3-methyl-benzoic acid hydrazide,benzoic acid, 3-methyl-, hydrazide,3-methylbenzenecarbohydrazide |
| IUPAC Name | 3-methylbenzohydrazide |
| InChI Key | XFNNAMBYJSQXKF-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O |
N,N-Diethyl-3-methylbenzamide, 97%
CAS: 134-62-3 Molecular Formula: C12H17NO Molecular Weight (g/mol): 191.274 MDL Number: MFCD00009046 InChI Key: MMOXZBCLCQITDF-UHFFFAOYSA-N Synonym: deet,n,n-diethyl-m-toluamide,diethyltoluamide,dieltamid,metadelphene,flypel,delphene,deta,detamide,autan PubChem CID: 4284 ChEBI: CHEBI:7071 IUPAC Name: N,N-diethyl-3-methylbenzamide SMILES: CCN(CC)C(=O)C1=CC(=CC=C1)C
| PubChem CID | 4284 |
|---|---|
| CAS | 134-62-3 |
| Molecular Weight (g/mol) | 191.274 |
| ChEBI | CHEBI:7071 |
| MDL Number | MFCD00009046 |
| SMILES | CCN(CC)C(=O)C1=CC(=CC=C1)C |
| Synonym | deet,n,n-diethyl-m-toluamide,diethyltoluamide,dieltamid,metadelphene,flypel,delphene,deta,detamide,autan |
| IUPAC Name | N,N-diethyl-3-methylbenzamide |
| InChI Key | MMOXZBCLCQITDF-UHFFFAOYSA-N |
| Molecular Formula | C12H17NO |
4-Methyl-3-nitrobenzamide, 98%
CAS: 19013-11-7 Molecular Formula: C8H8N2O3 Molecular Weight (g/mol): 180.163 MDL Number: MFCD00027392 InChI Key: YEUGEQUFPMJGCD-UHFFFAOYSA-N Synonym: 3-nitro-4-methylbenzamide,benzamide, 4-methyl-3-nitro,benzamide,4-methyl-3-nitro,acmc-20amdw PubChem CID: 87896 IUPAC Name: 4-methyl-3-nitrobenzamide SMILES: CC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]
| PubChem CID | 87896 |
|---|---|
| CAS | 19013-11-7 |
| Molecular Weight (g/mol) | 180.163 |
| MDL Number | MFCD00027392 |
| SMILES | CC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-] |
| Synonym | 3-nitro-4-methylbenzamide,benzamide, 4-methyl-3-nitro,benzamide,4-methyl-3-nitro,acmc-20amdw |
| IUPAC Name | 4-methyl-3-nitrobenzamide |
| InChI Key | YEUGEQUFPMJGCD-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2O3 |
4-Nitrobenzenesulfonic acid hydrate, 98%
CAS: 138-42-1 Molecular Formula: C6H5NO5S Molecular Weight (g/mol): 203.17 MDL Number: MFCD09037353 InChI Key: SPXOTSHWBDUUMT-UHFFFAOYSA-N Synonym: 4-nitrobenzenesulfonic acid,benzenesulfonic acid, 4-nitro,p-nitrobenzenesulfonic acid,4-nitrobenzenesulfonate,p-nitrophenylsulfonic acid,4-nitrobenzenesulphonic acid,4-nitro-benzenesulfonic acid,benzenesulfonic acid, p-nitro,ccris 3132,acmc-1bvgi PubChem CID: 8740 IUPAC Name: 4-nitrobenzene-1-sulfonic acid SMILES: OS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 8740 |
|---|---|
| CAS | 138-42-1 |
| Molecular Weight (g/mol) | 203.17 |
| MDL Number | MFCD09037353 |
| SMILES | OS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | 4-nitrobenzenesulfonic acid,benzenesulfonic acid, 4-nitro,p-nitrobenzenesulfonic acid,4-nitrobenzenesulfonate,p-nitrophenylsulfonic acid,4-nitrobenzenesulphonic acid,4-nitro-benzenesulfonic acid,benzenesulfonic acid, p-nitro,ccris 3132,acmc-1bvgi |
| IUPAC Name | 4-nitrobenzene-1-sulfonic acid |
| InChI Key | SPXOTSHWBDUUMT-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO5S |
p-Toluenesulfonic anhydride, 97%
CAS: 4124-41-8 Molecular Formula: C14H14O5S2 Molecular Weight (g/mol): 326.381 MDL Number: MFCD00008548 InChI Key: PDVFSPNIEOYOQL-UHFFFAOYSA-N Synonym: p-toluenesulfonic anhydride,4-methylbenzenesulfonic anhydride,4-toluenesulfonic anhydride,p-toluenesulfonicanhydride,p-toluene sulfonic anhydride,toluene-p-sulphonic anhydride,4-methylphenyl sulfonyl 4-methylbenzenesulfonate,p-toluenesulphonic anhydride,toluene-4-sulfonic anhydride,benzenesulfonic acid, 4-methyl-, anhydride PubChem CID: 77773 IUPAC Name: (4-methylphenyl)sulfonyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OS(=O)(=O)C2=CC=C(C=C2)C
| PubChem CID | 77773 |
|---|---|
| CAS | 4124-41-8 |
| Molecular Weight (g/mol) | 326.381 |
| MDL Number | MFCD00008548 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OS(=O)(=O)C2=CC=C(C=C2)C |
| Synonym | p-toluenesulfonic anhydride,4-methylbenzenesulfonic anhydride,4-toluenesulfonic anhydride,p-toluenesulfonicanhydride,p-toluene sulfonic anhydride,toluene-p-sulphonic anhydride,4-methylphenyl sulfonyl 4-methylbenzenesulfonate,p-toluenesulphonic anhydride,toluene-4-sulfonic anhydride,benzenesulfonic acid, 4-methyl-, anhydride |
| IUPAC Name | (4-methylphenyl)sulfonyl 4-methylbenzenesulfonate |
| InChI Key | PDVFSPNIEOYOQL-UHFFFAOYSA-N |
| Molecular Formula | C14H14O5S2 |
Ethyl O-(2-mesitylenesulfonyl)acetohydroxamate, 98+%
CAS: 38202-27-6 Molecular Formula: C13H19NO4S Molecular Weight (g/mol): 285.358 MDL Number: MFCD00009244 InChI Key: KQCBSWBQAXTILK-WYMLVPIESA-N Synonym: ethyl o-mesitylsulfonylacetohydroxamate,ethyl n-mesitylsulfonyl oxyacetimidate,ethyl o-methylsulphonylacetohydroxamate,ethyl o-2-mesitylenesulfonyl acethydroxamate,o-mesitylsulfonylacetohydroxamic acid ethyl ester,ethyl 1z-n-mesitylsulfonyl oxy ethanimidoate,ethyl 1e-n-2,4,6-trimethylphenyl sulfonyloxyethanimidate,kqcbswbqaxtilk-owbhpgmisa-n,z-ethyl n-mesitylsulfonyloxyacetimidate,z-ethyl n-mesitylsulfonyl oxyacetimidate PubChem CID: 6282444 IUPAC Name: ethyl (1E)-N-(2,4,6-trimethylphenyl)sulfonyloxyethanimidate SMILES: CCOC(=NOS(=O)(=O)C1=C(C=C(C=C1C)C)C)C
| PubChem CID | 6282444 |
|---|---|
| CAS | 38202-27-6 |
| Molecular Weight (g/mol) | 285.358 |
| MDL Number | MFCD00009244 |
| SMILES | CCOC(=NOS(=O)(=O)C1=C(C=C(C=C1C)C)C)C |
| Synonym | ethyl o-mesitylsulfonylacetohydroxamate,ethyl n-mesitylsulfonyl oxyacetimidate,ethyl o-methylsulphonylacetohydroxamate,ethyl o-2-mesitylenesulfonyl acethydroxamate,o-mesitylsulfonylacetohydroxamic acid ethyl ester,ethyl 1z-n-mesitylsulfonyl oxy ethanimidoate,ethyl 1e-n-2,4,6-trimethylphenyl sulfonyloxyethanimidate,kqcbswbqaxtilk-owbhpgmisa-n,z-ethyl n-mesitylsulfonyloxyacetimidate,z-ethyl n-mesitylsulfonyl oxyacetimidate |
| IUPAC Name | ethyl (1E)-N-(2,4,6-trimethylphenyl)sulfonyloxyethanimidate |
| InChI Key | KQCBSWBQAXTILK-WYMLVPIESA-N |
| Molecular Formula | C13H19NO4S |
4-(Boc-amino)phenol, 97%
CAS: 54840-15-2 Molecular Formula: C11H15NO3 Molecular Weight (g/mol): 209.245 MDL Number: MFCD00226573 InChI Key: YRQMBQUMJFVZLF-UHFFFAOYSA-N Synonym: 4-n-boc-aminophenol,tert-butyl 4-hydroxyphenyl carbamate,tert-butyl n-4-hydroxyphenyl carbamate,tert-butyl 4-hydroxyphenylcarbamate,4-boc-amino phenol,n-boc-4-hydroxyaniline,1,1-dimethylethyl 4-hydroxyphenyl carbamate,4-tert-butoxycarbonylamino phenol,4-hydroxy-phenyl-carbamic acid tert-butyl ester,carbamic acid, 4-hydroxyphenyl-, 1,1-dimethylethyl ester PubChem CID: 2756771 IUPAC Name: tert-butyl N-(4-hydroxyphenyl)carbamate SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)O
| PubChem CID | 2756771 |
|---|---|
| CAS | 54840-15-2 |
| Molecular Weight (g/mol) | 209.245 |
| MDL Number | MFCD00226573 |
| SMILES | CC(C)(C)OC(=O)NC1=CC=C(C=C1)O |
| Synonym | 4-n-boc-aminophenol,tert-butyl 4-hydroxyphenyl carbamate,tert-butyl n-4-hydroxyphenyl carbamate,tert-butyl 4-hydroxyphenylcarbamate,4-boc-amino phenol,n-boc-4-hydroxyaniline,1,1-dimethylethyl 4-hydroxyphenyl carbamate,4-tert-butoxycarbonylamino phenol,4-hydroxy-phenyl-carbamic acid tert-butyl ester,carbamic acid, 4-hydroxyphenyl-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-(4-hydroxyphenyl)carbamate |
| InChI Key | YRQMBQUMJFVZLF-UHFFFAOYSA-N |
| Molecular Formula | C11H15NO3 |
6-Methylindole, 99%
CAS: 3420-02-8 Molecular Formula: C9H9N Molecular Weight (g/mol): 131.18 MDL Number: MFCD00005682 InChI Key: ONYNOPPOVKYGRS-UHFFFAOYSA-N Synonym: n-boc-aniline,tert-butyl phenylcarbamate,n-boc aniline,t-butyl carbanilate,tert-butyl carbanilate,carbanilic acid, tert-butyl ester,carbamic acid, phenyl-, 1,1-dimethylethyl ester,n-tert-butoxycarbonyl aniline,tert-butyl n-phenylurethane,carbanilic acid tert-butyl ester PubChem CID: 137930 SMILES: CC1=CC=C2C=CNC2=C1
| PubChem CID | 137930 |
|---|---|
| CAS | 3420-02-8 |
| Molecular Weight (g/mol) | 131.18 |
| MDL Number | MFCD00005682 |
| SMILES | CC1=CC=C2C=CNC2=C1 |
| Synonym | n-boc-aniline,tert-butyl phenylcarbamate,n-boc aniline,t-butyl carbanilate,tert-butyl carbanilate,carbanilic acid, tert-butyl ester,carbamic acid, phenyl-, 1,1-dimethylethyl ester,n-tert-butoxycarbonyl aniline,tert-butyl n-phenylurethane,carbanilic acid tert-butyl ester |
| InChI Key | ONYNOPPOVKYGRS-UHFFFAOYSA-N |
| Molecular Formula | C9H9N |
N-BOC-p-phenylenediamine, 97%
CAS: 71026-66-9 Molecular Formula: C11H16N2O2 Molecular Weight (g/mol): 208.26 MDL Number: MFCD00043022 InChI Key: WIVYTYZCVWHWSH-UHFFFAOYSA-N PubChem CID: 688611 IUPAC Name: tert-butyl N-(4-aminophenyl)carbamate SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)N
| PubChem CID | 688611 |
|---|---|
| CAS | 71026-66-9 |
| Molecular Weight (g/mol) | 208.26 |
| MDL Number | MFCD00043022 |
| SMILES | CC(C)(C)OC(=O)NC1=CC=C(C=C1)N |
| IUPAC Name | tert-butyl N-(4-aminophenyl)carbamate |
| InChI Key | WIVYTYZCVWHWSH-UHFFFAOYSA-N |
| Molecular Formula | C11H16N2O2 |