Organic acids and derivatives
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Iron(II) oxalate hydrate, 96%
CAS: 516-03-0 Molecular Formula: C2FeO4 Molecular Weight (g/mol): 143.86 MDL Number: MFCD00012475 InChI Key: OWZIYWAUNZMLRT-UHFFFAOYSA-L Synonym: ferrous oxalate,iron ii oxalate,unii-dzp4yv3icv,dzp4yv3icv,iron protoxalate,iron, ethanedioato 2--.kappa.o1,.kappa.o2,iron 2+ oxalate,iron oxalate fec2o4,hsdb 463,iron 2+ ; oxalate PubChem CID: 10589 IUPAC Name: iron(2+);oxalate SMILES: [Fe++].[O-]C(=O)C([O-])=O
| PubChem CID | 10589 |
|---|---|
| CAS | 516-03-0 |
| Molecular Weight (g/mol) | 143.86 |
| MDL Number | MFCD00012475 |
| SMILES | [Fe++].[O-]C(=O)C([O-])=O |
| Synonym | ferrous oxalate,iron ii oxalate,unii-dzp4yv3icv,dzp4yv3icv,iron protoxalate,iron, ethanedioato 2--.kappa.o1,.kappa.o2,iron 2+ oxalate,iron oxalate fec2o4,hsdb 463,iron 2+ ; oxalate |
| IUPAC Name | iron(2+);oxalate |
| InChI Key | OWZIYWAUNZMLRT-UHFFFAOYSA-L |
| Molecular Formula | C2FeO4 |
Cycloheptylacetic acid, 99%
CAS: 4401-20-1 Molecular Formula: C9H16O2 Molecular Weight (g/mol): 156.225 MDL Number: MFCD01075701 InChI Key: DQNWKASPZFJVMJ-UHFFFAOYSA-N Synonym: cycloheptylacetic acid,cycloheptaneacetic acid,2-cycloheptylaceticacid,pubchem16200,acmc-20ald3 PubChem CID: 227401 IUPAC Name: 2-cycloheptylacetic acid SMILES: C1CCCC(CC1)CC(=O)O
| PubChem CID | 227401 |
|---|---|
| CAS | 4401-20-1 |
| Molecular Weight (g/mol) | 156.225 |
| MDL Number | MFCD01075701 |
| SMILES | C1CCCC(CC1)CC(=O)O |
| Synonym | cycloheptylacetic acid,cycloheptaneacetic acid,2-cycloheptylaceticacid,pubchem16200,acmc-20ald3 |
| IUPAC Name | 2-cycloheptylacetic acid |
| InChI Key | DQNWKASPZFJVMJ-UHFFFAOYSA-N |
| Molecular Formula | C9H16O2 |
n-Butyl Acetate, ACS, 99.5%, Spectrum™ Chemical
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CAS: 123-86-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 InChI Key: DKPFZGUDAPQIHT-UHFFFAOYSA-N IUPAC Name: butyl acetate SMILES: CCCCOC(C)=O
| CAS | 123-86-4 |
|---|---|
| Molecular Weight (g/mol) | 116.16 |
| SMILES | CCCCOC(C)=O |
| IUPAC Name | butyl acetate |
| InChI Key | DKPFZGUDAPQIHT-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
4-Aminoantipyrine, ≥98.0%, MilliporeSigma™ Supelco™
MDL Number: MFCD00003145 Synonym: 4-Amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one; Ampyrone
| MDL Number | MFCD00003145 |
|---|---|
| Synonym | 4-Amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one; Ampyrone |
Ethyl 2-bromo-3-methylbutyrate, 95%
CAS: 609-12-1 Molecular Formula: C7H13BrO2 Molecular Weight (g/mol): 209.08 InChI Key: WNFUWONOILPKNX-UHFFFAOYSA-N Synonym: ethyl 2-bromoisovalerate,ethyl 2-bromo-3-methylbutyrate,butanoic acid, 2-bromo-3-methyl-, ethyl ester,ethyl .alpha.-bromoisovalerate,2-bromoisovaleric acid ethyl ester,butyric acid, 2-bromo-3-methyl-, ethyl ester,ethyl 2-bromo-3-methyl-butanoate,.alpha.-bromoisovaleric acid ethyl ester,ethyl,a-bromoisovalerate,ethyl 2-bromo isovalerate PubChem CID: 79068 IUPAC Name: ethyl 2-bromo-3-methylbutanoate SMILES: CCOC(=O)C(C(C)C)Br
| PubChem CID | 79068 |
|---|---|
| CAS | 609-12-1 |
| Molecular Weight (g/mol) | 209.08 |
| SMILES | CCOC(=O)C(C(C)C)Br |
| Synonym | ethyl 2-bromoisovalerate,ethyl 2-bromo-3-methylbutyrate,butanoic acid, 2-bromo-3-methyl-, ethyl ester,ethyl .alpha.-bromoisovalerate,2-bromoisovaleric acid ethyl ester,butyric acid, 2-bromo-3-methyl-, ethyl ester,ethyl 2-bromo-3-methyl-butanoate,.alpha.-bromoisovaleric acid ethyl ester,ethyl,a-bromoisovalerate,ethyl 2-bromo isovalerate |
| IUPAC Name | ethyl 2-bromo-3-methylbutanoate |
| InChI Key | WNFUWONOILPKNX-UHFFFAOYSA-N |
| Molecular Formula | C7H13BrO2 |
2-Trifluoromethoxyphenylboronic acid, 97%
CAS: 175676-65-0 Molecular Formula: C7H6BF3O3 Molecular Weight (g/mol): 205.93 MDL Number: MFCD01320763 InChI Key: AIJCNTOYZPKURP-UHFFFAOYSA-N Synonym: 2-trifluoromethoxy phenylboronic acid,2-trifluoromethoxyphenylboronic acid,2-trifluormethoxy phenylboronic acid,2-trifluoromethoxy benzeneboronic acid,2-trifluoromethoxy phenyl boronic acid,2-trifluormethoxyphenylboronic acid,o-trifluoromethoxy phenylboronic acid,2-trifluoromethoxy phenyl boranediol,boronic acid, 2-trifluoromethoxy phenyl PubChem CID: 2777204 IUPAC Name: [2-(trifluoromethoxy)phenyl]boronic acid SMILES: OB(O)C1=CC=CC=C1OC(F)(F)F
| PubChem CID | 2777204 |
|---|---|
| CAS | 175676-65-0 |
| Molecular Weight (g/mol) | 205.93 |
| MDL Number | MFCD01320763 |
| SMILES | OB(O)C1=CC=CC=C1OC(F)(F)F |
| Synonym | 2-trifluoromethoxy phenylboronic acid,2-trifluoromethoxyphenylboronic acid,2-trifluormethoxy phenylboronic acid,2-trifluoromethoxy benzeneboronic acid,2-trifluoromethoxy phenyl boronic acid,2-trifluormethoxyphenylboronic acid,o-trifluoromethoxy phenylboronic acid,2-trifluoromethoxy phenyl boranediol,boronic acid, 2-trifluoromethoxy phenyl |
| IUPAC Name | [2-(trifluoromethoxy)phenyl]boronic acid |
| InChI Key | AIJCNTOYZPKURP-UHFFFAOYSA-N |
| Molecular Formula | C7H6BF3O3 |
Bromoacetic anhydride, 95%
CAS: 13094-51-4 Molecular Formula: C4H4Br2O3 Molecular Weight (g/mol): 259.87 MDL Number: MFCD00045041 InChI Key: FUKOTTQGWQVMQB-UHFFFAOYSA-N Synonym: bromoacetic anhydride,2-bromoacetic anhydride,acetic acid, 2-bromo-,1,1'-anhydride,2-bromoacetyl 2-bromoacetate,bromoaceticanhydride,acetic acid, bromo-, anhydride PubChem CID: 4259817 IUPAC Name: (2-bromoacetyl) 2-bromoacetate SMILES: C(C(=O)OC(=O)CBr)Br
| PubChem CID | 4259817 |
|---|---|
| CAS | 13094-51-4 |
| Molecular Weight (g/mol) | 259.87 |
| MDL Number | MFCD00045041 |
| SMILES | C(C(=O)OC(=O)CBr)Br |
| Synonym | bromoacetic anhydride,2-bromoacetic anhydride,acetic acid, 2-bromo-,1,1'-anhydride,2-bromoacetyl 2-bromoacetate,bromoaceticanhydride,acetic acid, bromo-, anhydride |
| IUPAC Name | (2-bromoacetyl) 2-bromoacetate |
| InChI Key | FUKOTTQGWQVMQB-UHFFFAOYSA-N |
| Molecular Formula | C4H4Br2O3 |
4-Nitrophenylboronic acid, 97%
CAS: 24067-17-2 Molecular Formula: C6H6BNO4 Molecular Weight (g/mol): 166.93 MDL Number: MFCD00161360 InChI Key: NSFJAFZHYOAMHL-UHFFFAOYSA-N Synonym: 4-nitrophenyl boronic acid,4-nitrobenzeneboronic acid,p-nitrophenylboronic acid,4-nitrophenylboronicacid,p-nitrophenyl boronic acid,4-nitro phenyl boronic acid,boronic acid, 4-nitrophenyl,boronic acid, b-4-nitrophenyl,4-borononitrobenzene PubChem CID: 2773552 IUPAC Name: (4-nitrophenyl)boronic acid SMILES: OB(O)C1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 2773552 |
|---|---|
| CAS | 24067-17-2 |
| Molecular Weight (g/mol) | 166.93 |
| MDL Number | MFCD00161360 |
| SMILES | OB(O)C1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | 4-nitrophenyl boronic acid,4-nitrobenzeneboronic acid,p-nitrophenylboronic acid,4-nitrophenylboronicacid,p-nitrophenyl boronic acid,4-nitro phenyl boronic acid,boronic acid, 4-nitrophenyl,boronic acid, b-4-nitrophenyl,4-borononitrobenzene |
| IUPAC Name | (4-nitrophenyl)boronic acid |
| InChI Key | NSFJAFZHYOAMHL-UHFFFAOYSA-N |
| Molecular Formula | C6H6BNO4 |
Ethyl cyclohexanecarboxylate, 98+%
CAS: 3289-28-9 Molecular Formula: C9H16O2 Molecular Weight (g/mol): 156.225 MDL Number: MFCD00041734 InChI Key: JJOYCHKVKWDMEA-UHFFFAOYSA-N Synonym: cyclohexanecarboxylic acid, ethyl ester,ethyl cyclohexylformate,ethyl hexahydrobenzoate,cyclohexanecarboxylic acid ethyl ester,ethoxycarbonylcyclohexane,ethyl cyclohexylcarboxylate,ethyl cyclohexanoate,fema no. 3544,ethyl cyclohexylmethanoate,ethyl cyclohexanocarboxylate PubChem CID: 18686 IUPAC Name: ethyl cyclohexanecarboxylate SMILES: CCOC(=O)C1CCCCC1
| PubChem CID | 18686 |
|---|---|
| CAS | 3289-28-9 |
| Molecular Weight (g/mol) | 156.225 |
| MDL Number | MFCD00041734 |
| SMILES | CCOC(=O)C1CCCCC1 |
| Synonym | cyclohexanecarboxylic acid, ethyl ester,ethyl cyclohexylformate,ethyl hexahydrobenzoate,cyclohexanecarboxylic acid ethyl ester,ethoxycarbonylcyclohexane,ethyl cyclohexylcarboxylate,ethyl cyclohexanoate,fema no. 3544,ethyl cyclohexylmethanoate,ethyl cyclohexanocarboxylate |
| IUPAC Name | ethyl cyclohexanecarboxylate |
| InChI Key | JJOYCHKVKWDMEA-UHFFFAOYSA-N |
| Molecular Formula | C9H16O2 |
4-(Cyanomethoxy)phenylboronic acid, 97%, Thermo Scientific Chemicals
CAS: 947533-23-5 Molecular Formula: C8H8BNO3 Molecular Weight (g/mol): 176.97 MDL Number: MFCD09908170 InChI Key: GKJPNYHKHSLHCC-UHFFFAOYSA-N Synonym: 4-cyanomethoxyphenylboronic acid,4-cyanomethoxy phenyl boronic acid,4-cyanomethoxy phenylboronic acid,acmc-209rtj PubChem CID: 21918429 IUPAC Name: [4-(cyanomethoxy)phenyl]boronic acid SMILES: OB(O)C1=CC=C(OCC#N)C=C1
| PubChem CID | 21918429 |
|---|---|
| CAS | 947533-23-5 |
| Molecular Weight (g/mol) | 176.97 |
| MDL Number | MFCD09908170 |
| SMILES | OB(O)C1=CC=C(OCC#N)C=C1 |
| Synonym | 4-cyanomethoxyphenylboronic acid,4-cyanomethoxy phenyl boronic acid,4-cyanomethoxy phenylboronic acid,acmc-209rtj |
| IUPAC Name | [4-(cyanomethoxy)phenyl]boronic acid |
| InChI Key | GKJPNYHKHSLHCC-UHFFFAOYSA-N |
| Molecular Formula | C8H8BNO3 |
3-(Tetrazol-5-yl)phenylboronic acid, 96%, Thermo Scientific Chemicals
CAS: 775351-30-9 Molecular Formula: C7H7BN4O2 Molecular Weight (g/mol): 189.97 MDL Number: MFCD11044436 InChI Key: XMJKBDSKRITXBW-UHFFFAOYSA-N Synonym: 3-tetrazol-5-yl phenylboronic acid,3-1h-tetrazol-5-yl phenylboronic acid,3-2h-tetrazol-5-yl-phenyl-boronic acid,3-2h-tetrazol-5-yl phenyl boronic acid,boronic acid,b-3-2h-tetrazol-5-yl phenyl,3-2h-tetrazol-5-yl phenyl-boronic acid,3-1h-1,2,3,4-tetrazol-5-yl phenylboronic acid,3-2h-1,2,3,4-tetrazol-5-yl phenylboronic acid,acmc-209pal PubChem CID: 46737996 IUPAC Name: [3-(2H-tetrazol-5-yl)phenyl]boronic acid SMILES: OB(O)C1=CC(=CC=C1)C1=NNN=N1
| PubChem CID | 46737996 |
|---|---|
| CAS | 775351-30-9 |
| Molecular Weight (g/mol) | 189.97 |
| MDL Number | MFCD11044436 |
| SMILES | OB(O)C1=CC(=CC=C1)C1=NNN=N1 |
| Synonym | 3-tetrazol-5-yl phenylboronic acid,3-1h-tetrazol-5-yl phenylboronic acid,3-2h-tetrazol-5-yl-phenyl-boronic acid,3-2h-tetrazol-5-yl phenyl boronic acid,boronic acid,b-3-2h-tetrazol-5-yl phenyl,3-2h-tetrazol-5-yl phenyl-boronic acid,3-1h-1,2,3,4-tetrazol-5-yl phenylboronic acid,3-2h-1,2,3,4-tetrazol-5-yl phenylboronic acid,acmc-209pal |
| IUPAC Name | [3-(2H-tetrazol-5-yl)phenyl]boronic acid |
| InChI Key | XMJKBDSKRITXBW-UHFFFAOYSA-N |
| Molecular Formula | C7H7BN4O2 |
Potassium formate, 96%, pract.
CAS: 590-29-4 Molecular Formula: CHKO2 Molecular Weight (g/mol): 84.12 MDL Number: MFCD00013100 InChI Key: WFIZEGIEIOHZCP-UHFFFAOYSA-M Synonym: potassium formate,formic acid potassium salt,formic acid, potassium salt,formic acid, k salt,hcook,mravencan draselny czech,hco2k,formic acid, potassium salt 1:1,potassium formira,64-18-6 parent PubChem CID: 2735122 ChEBI: CHEBI:63316 IUPAC Name: potassium;formate SMILES: C(=O)[O-].[K+]
| PubChem CID | 2735122 |
|---|---|
| CAS | 590-29-4 |
| Molecular Weight (g/mol) | 84.12 |
| ChEBI | CHEBI:63316 |
| MDL Number | MFCD00013100 |
| SMILES | C(=O)[O-].[K+] |
| Synonym | potassium formate,formic acid potassium salt,formic acid, potassium salt,formic acid, k salt,hcook,mravencan draselny czech,hco2k,formic acid, potassium salt 1:1,potassium formira,64-18-6 parent |
| IUPAC Name | potassium;formate |
| InChI Key | WFIZEGIEIOHZCP-UHFFFAOYSA-M |
| Molecular Formula | CHKO2 |
Ethyl 2-bromoisobutyrate, 98%
CAS: 600-00-0 Molecular Formula: C6H11BrO2 Molecular Weight (g/mol): 195.06 MDL Number: MFCD00000123 InChI Key: IOLQWGVDEFWYNP-UHFFFAOYSA-N Synonym: ethyl 2-bromoisobutyrate,ethyl 2-bromo-2-methylpropionate,ethyl alpha-bromoisobutyrate,ethyl .alpha.-bromoisobutyrate,propanoic acid, 2-bromo-2-methyl-, ethyl ester,2-bromo-2-methylpropanoic acid, ethyl ester,ethyl-2-bromoisobutyrate,propanoic acid, bromo-2-methyl-, ethyl ester,ethyl 2-bromo-2-methyl-propanoate,propionic acid, 2-bromo-2-methyl-, ethyl ester PubChem CID: 11745 IUPAC Name: ethyl 2-bromo-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)Br
| PubChem CID | 11745 |
|---|---|
| CAS | 600-00-0 |
| Molecular Weight (g/mol) | 195.06 |
| MDL Number | MFCD00000123 |
| SMILES | CCOC(=O)C(C)(C)Br |
| Synonym | ethyl 2-bromoisobutyrate,ethyl 2-bromo-2-methylpropionate,ethyl alpha-bromoisobutyrate,ethyl .alpha.-bromoisobutyrate,propanoic acid, 2-bromo-2-methyl-, ethyl ester,2-bromo-2-methylpropanoic acid, ethyl ester,ethyl-2-bromoisobutyrate,propanoic acid, bromo-2-methyl-, ethyl ester,ethyl 2-bromo-2-methyl-propanoate,propionic acid, 2-bromo-2-methyl-, ethyl ester |
| IUPAC Name | ethyl 2-bromo-2-methylpropanoate |
| InChI Key | IOLQWGVDEFWYNP-UHFFFAOYSA-N |
| Molecular Formula | C6H11BrO2 |
Phthalic Anhydride, ACS, 99.0-100.2%, Spectrum™ Chemical
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CAS: 85-44-9 Molecular Formula: C8H4O3 Molecular Weight (g/mol): 148.12 InChI Key: LGRFSURHDFAFJT-UHFFFAOYSA-N IUPAC Name: 1,3-dihydro-2-benzofuran-1,3-dione SMILES: O=C1OC(=O)C2=CC=CC=C12
| CAS | 85-44-9 |
|---|---|
| Molecular Weight (g/mol) | 148.12 |
| SMILES | O=C1OC(=O)C2=CC=CC=C12 |
| IUPAC Name | 1,3-dihydro-2-benzofuran-1,3-dione |
| InChI Key | LGRFSURHDFAFJT-UHFFFAOYSA-N |
| Molecular Formula | C8H4O3 |
Phthalimide, 98%, Spectrum™ Chemical
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CAS: 85-41-6 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.13 InChI Key: XKJCHHZQLQNZHY-UHFFFAOYSA-N IUPAC Name: 2,3-dihydro-1H-isoindole-1,3-dione SMILES: O=C1NC(=O)C2=CC=CC=C12
| CAS | 85-41-6 |
|---|---|
| Molecular Weight (g/mol) | 147.13 |
| SMILES | O=C1NC(=O)C2=CC=CC=C12 |
| IUPAC Name | 2,3-dihydro-1H-isoindole-1,3-dione |
| InChI Key | XKJCHHZQLQNZHY-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO2 |