Organic acids and derivatives
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1,2-Bis(chloroacetoxy)ethane 98.0+%, TCI America™
CAS: 6941-69-1 Molecular Formula: C6H8Cl2O4 Molecular Weight (g/mol): 215.026 MDL Number: MFCD00045277 InChI Key: HIIBHBNRMVLLKH-UHFFFAOYSA-N Synonym: Ethylene Glycol Bis(monochloroacetate), Ethylene Glycol Dichloroacetate PubChem CID: 81365 IUPAC Name: 2-(2-chloroacetyl)oxyethyl 2-chloroacetate SMILES: C(COC(=O)CCl)OC(=O)CCl
| PubChem CID | 81365 |
|---|---|
| CAS | 6941-69-1 |
| Molecular Weight (g/mol) | 215.026 |
| MDL Number | MFCD00045277 |
| SMILES | C(COC(=O)CCl)OC(=O)CCl |
| Synonym | Ethylene Glycol Bis(monochloroacetate), Ethylene Glycol Dichloroacetate |
| IUPAC Name | 2-(2-chloroacetyl)oxyethyl 2-chloroacetate |
| InChI Key | HIIBHBNRMVLLKH-UHFFFAOYSA-N |
| Molecular Formula | C6H8Cl2O4 |
4-Phosphonobenzoic Acid 96.0+%, TCI America™
CAS: 618-21-3 Molecular Formula: C7H7O5P Molecular Weight (g/mol): 202.102 MDL Number: MFCD00159431 InChI Key: IEQICHVXWFGDAN-UHFFFAOYSA-N Synonym: 4-Carboxyphenylphosphonic Acid PubChem CID: 12054 IUPAC Name: 4-phosphonobenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)P(=O)(O)O
| PubChem CID | 12054 |
|---|---|
| CAS | 618-21-3 |
| Molecular Weight (g/mol) | 202.102 |
| MDL Number | MFCD00159431 |
| SMILES | C1=CC(=CC=C1C(=O)O)P(=O)(O)O |
| Synonym | 4-Carboxyphenylphosphonic Acid |
| IUPAC Name | 4-phosphonobenzoic acid |
| InChI Key | IEQICHVXWFGDAN-UHFFFAOYSA-N |
| Molecular Formula | C7H7O5P |
1,2,3,4,5,6-Cyclohexanehexacarboxylic Acid Monohydrate 97.0+%, TCI America™
CAS: 2216-84-4 Molecular Formula: C12H12O12 Molecular Weight (g/mol): 348.216 MDL Number: MFCD00081090 InChI Key: DTGRIEIJTWNZQF-UHFFFAOYSA-N PubChem CID: 102227 IUPAC Name: cyclohexane-1,2,3,4,5,6-hexacarboxylic acid SMILES: C1(C(C(C(C(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O
| PubChem CID | 102227 |
|---|---|
| CAS | 2216-84-4 |
| Molecular Weight (g/mol) | 348.216 |
| MDL Number | MFCD00081090 |
| SMILES | C1(C(C(C(C(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O |
| IUPAC Name | cyclohexane-1,2,3,4,5,6-hexacarboxylic acid |
| InChI Key | DTGRIEIJTWNZQF-UHFFFAOYSA-N |
| Molecular Formula | C12H12O12 |
N-(5-Bromopentyl)phthalimide 98.0+%, TCI America™
CAS: 954-81-4 Molecular Formula: C13H14BrNO2 Molecular Weight (g/mol): 296.164 MDL Number: MFCD00060522 InChI Key: QKVHAKICMNABGB-UHFFFAOYSA-N Synonym: n-5-bromopentyl phthalimide,2-5-bromopentyl isoindole-1,3-dione,n-5-bromopentyl-phthalimide,2-5-bromopentyl isoindoline-1,3-dione,2-5-bromo-pentyl-isoindole-1,3-dione,2-5-bromopentyl-1h-isoindole-1,3 2h-dione,2-5-bromopentyl-2,3-dihydro-1h-isoindole-1,3-dione,5-phthalimidopentyl bromide,1-bromo-5-phthalimidopentane PubChem CID: 136770 IUPAC Name: 2-(5-bromopentyl)isoindole-1,3-dione SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCBr
| PubChem CID | 136770 |
|---|---|
| CAS | 954-81-4 |
| Molecular Weight (g/mol) | 296.164 |
| MDL Number | MFCD00060522 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCBr |
| Synonym | n-5-bromopentyl phthalimide,2-5-bromopentyl isoindole-1,3-dione,n-5-bromopentyl-phthalimide,2-5-bromopentyl isoindoline-1,3-dione,2-5-bromo-pentyl-isoindole-1,3-dione,2-5-bromopentyl-1h-isoindole-1,3 2h-dione,2-5-bromopentyl-2,3-dihydro-1h-isoindole-1,3-dione,5-phthalimidopentyl bromide,1-bromo-5-phthalimidopentane |
| IUPAC Name | 2-(5-bromopentyl)isoindole-1,3-dione |
| InChI Key | QKVHAKICMNABGB-UHFFFAOYSA-N |
| Molecular Formula | C13H14BrNO2 |
Isovaleric Acid 99.0+%, TCI America™
CAS: 503-74-2 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00002726 InChI Key: GWYFCOCPABKNJV-UHFFFAOYSA-N Synonym: isovaleric acid,isopentanoic acid,3-methylbutyric acid,delphinic acid,isopropylacetic acid,butanoic acid, 3-methyl,isovalerianic acid,isobutylformic acid,3-methylbutyrate,beta-methylbutyric acid PubChem CID: 10430 ChEBI: CHEBI:28484 IUPAC Name: 3-methylbutanoic acid SMILES: CC(C)CC(O)=O
| PubChem CID | 10430 |
|---|---|
| CAS | 503-74-2 |
| Molecular Weight (g/mol) | 102.13 |
| ChEBI | CHEBI:28484 |
| MDL Number | MFCD00002726 |
| SMILES | CC(C)CC(O)=O |
| Synonym | isovaleric acid,isopentanoic acid,3-methylbutyric acid,delphinic acid,isopropylacetic acid,butanoic acid, 3-methyl,isovalerianic acid,isobutylformic acid,3-methylbutyrate,beta-methylbutyric acid |
| IUPAC Name | 3-methylbutanoic acid |
| InChI Key | GWYFCOCPABKNJV-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
Methyl 2-Fluoro-2-methylpropionate 95.0+%, TCI America™
CAS: 338-76-1 Molecular Formula: C5H9FO2 Molecular Weight (g/mol): 120.123 MDL Number: MFCD03265444 InChI Key: OEGBOFOVYSOERL-UHFFFAOYSA-N Synonym: 2-Fluoro-2-methylpropionic Acid Methyl Ester PubChem CID: 9793744 IUPAC Name: methyl 2-fluoro-2-methylpropanoate SMILES: CC(C)(C(=O)OC)F
| PubChem CID | 9793744 |
|---|---|
| CAS | 338-76-1 |
| Molecular Weight (g/mol) | 120.123 |
| MDL Number | MFCD03265444 |
| SMILES | CC(C)(C(=O)OC)F |
| Synonym | 2-Fluoro-2-methylpropionic Acid Methyl Ester |
| IUPAC Name | methyl 2-fluoro-2-methylpropanoate |
| InChI Key | OEGBOFOVYSOERL-UHFFFAOYSA-N |
| Molecular Formula | C5H9FO2 |
4'-Iodoacetanilide 95.0+%, TCI America™
CAS: 622-50-4 Molecular Formula: C8H8INO Molecular Weight (g/mol): 261.062 MDL Number: MFCD00016352 InChI Key: SIULLDWIXYYVCU-UHFFFAOYSA-N Synonym: n-4-iodophenyl acetamide,4-iodoacetanilide,4'-iodoacetanilide,p-iodoacetanilide,acetamide, n-4-iodophenyl,acetanilide, 4'-iodo,4'-iodo-acetanilide,pubchem3293,acmc-20akb8,maybridge1_006480 PubChem CID: 12147 IUPAC Name: N-(4-iodophenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)I
| PubChem CID | 12147 |
|---|---|
| CAS | 622-50-4 |
| Molecular Weight (g/mol) | 261.062 |
| MDL Number | MFCD00016352 |
| SMILES | CC(=O)NC1=CC=C(C=C1)I |
| Synonym | n-4-iodophenyl acetamide,4-iodoacetanilide,4'-iodoacetanilide,p-iodoacetanilide,acetamide, n-4-iodophenyl,acetanilide, 4'-iodo,4'-iodo-acetanilide,pubchem3293,acmc-20akb8,maybridge1_006480 |
| IUPAC Name | N-(4-iodophenyl)acetamide |
| InChI Key | SIULLDWIXYYVCU-UHFFFAOYSA-N |
| Molecular Formula | C8H8INO |
Sulfacetamide 98.0+%, TCI America™
CAS: 144-80-9 Molecular Formula: C8H10N2O3S Molecular Weight (g/mol): 214.239 InChI Key: SKIVFJLNDNKQPD-UHFFFAOYSA-N Synonym: sulfacetamide,sulphacetamide,acetosulfamine,n-acetylsulfanilamide,acetosulfamin,albucid,n-sulfanilylacetamide,n-4-aminophenyl sulfonyl acetamide,sulfacetimide,acetocid PubChem CID: 5320 ChEBI: CHEBI:63845 IUPAC Name: N-(4-aminophenyl)sulfonylacetamide SMILES: CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N
| PubChem CID | 5320 |
|---|---|
| CAS | 144-80-9 |
| Molecular Weight (g/mol) | 214.239 |
| ChEBI | CHEBI:63845 |
| SMILES | CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N |
| Synonym | sulfacetamide,sulphacetamide,acetosulfamine,n-acetylsulfanilamide,acetosulfamin,albucid,n-sulfanilylacetamide,n-4-aminophenyl sulfonyl acetamide,sulfacetimide,acetocid |
| IUPAC Name | N-(4-aminophenyl)sulfonylacetamide |
| InChI Key | SKIVFJLNDNKQPD-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O3S |
4-Phenylbutyric Acid 98.0+%, TCI America™
CAS: 1821-12-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00004403 InChI Key: OBKXEAXTFZPCHS-UHFFFAOYSA-N Synonym: 4-phenylbutyric acid,benzenebutanoic acid,benzenebutyric acid,phenylbutyrate,gamma-phenylbutyric acid,omega-phenylbutanoic acid,phenylbutyric acid,4-phenylbutyrate,butyric acid, 4-phenyl,4-phenyl-n-butyric acid PubChem CID: 4775 ChEBI: CHEBI:41500 IUPAC Name: 4-phenylbutanoic acid SMILES: C1=CC=C(C=C1)CCCC(=O)O
| PubChem CID | 4775 |
|---|---|
| CAS | 1821-12-1 |
| Molecular Weight (g/mol) | 164.204 |
| ChEBI | CHEBI:41500 |
| MDL Number | MFCD00004403 |
| SMILES | C1=CC=C(C=C1)CCCC(=O)O |
| Synonym | 4-phenylbutyric acid,benzenebutanoic acid,benzenebutyric acid,phenylbutyrate,gamma-phenylbutyric acid,omega-phenylbutanoic acid,phenylbutyric acid,4-phenylbutyrate,butyric acid, 4-phenyl,4-phenyl-n-butyric acid |
| IUPAC Name | 4-phenylbutanoic acid |
| InChI Key | OBKXEAXTFZPCHS-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
Pentaerythritol Tetra(3-mercaptopropionate) 90.0+%, TCI America™
CAS: 7575-23-7 Molecular Formula: C17H28O8S4 Molecular Weight (g/mol): 488.64 MDL Number: MFCD00022104 InChI Key: JOBBTVPTPXRUBP-UHFFFAOYSA-N PubChem CID: 82056 IUPAC Name: 3-[(3-sulfanylpropanoyl)oxy]-2,2-bis({[(3-sulfanylpropanoyl)oxy]methyl})propyl 3-sulfanylpropanoate SMILES: SCCC(=O)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS
| PubChem CID | 82056 |
|---|---|
| CAS | 7575-23-7 |
| Molecular Weight (g/mol) | 488.64 |
| MDL Number | MFCD00022104 |
| SMILES | SCCC(=O)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS |
| IUPAC Name | 3-[(3-sulfanylpropanoyl)oxy]-2,2-bis({[(3-sulfanylpropanoyl)oxy]methyl})propyl 3-sulfanylpropanoate |
| InChI Key | JOBBTVPTPXRUBP-UHFFFAOYSA-N |
| Molecular Formula | C17H28O8S4 |
3-Pyridylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 1692-25-7 Molecular Formula: C5H6BNO2 Molecular Weight (g/mol): 122.92 MDL Number: MFCD00674177 InChI Key: ABMYEXAYWZJVOV-UHFFFAOYSA-N Synonym: pyridine-3-boronic acid,3-pyridylboronic acid,3-pyridineboronic acid,pyridin-3-yl boronic acid,3-pyridinylboronic acid,pyridin-3-yl-3-boronic acid,3-pyridineboric acid,3-pyridinebornic acid,pyridyl-3-boronic acid,pyridine 3-boronic acid PubChem CID: 2734378 IUPAC Name: (pyridin-3-yl)boronic acid SMILES: OB(O)C1=CC=CN=C1
| PubChem CID | 2734378 |
|---|---|
| CAS | 1692-25-7 |
| Molecular Weight (g/mol) | 122.92 |
| MDL Number | MFCD00674177 |
| SMILES | OB(O)C1=CC=CN=C1 |
| Synonym | pyridine-3-boronic acid,3-pyridylboronic acid,3-pyridineboronic acid,pyridin-3-yl boronic acid,3-pyridinylboronic acid,pyridin-3-yl-3-boronic acid,3-pyridineboric acid,3-pyridinebornic acid,pyridyl-3-boronic acid,pyridine 3-boronic acid |
| IUPAC Name | (pyridin-3-yl)boronic acid |
| InChI Key | ABMYEXAYWZJVOV-UHFFFAOYSA-N |
| Molecular Formula | C5H6BNO2 |
(+)-Griseofulvin 97.0+%, TCI America™
CAS: 126-07-8 Molecular Formula: C17H17ClO6 Molecular Weight (g/mol): 352.767 MDL Number: MFCD00082343 InChI Key: DDUHZTYCFQRHIY-RBHXEPJQSA-N Synonym: griseofulvin,+-griseofulvin,amudane,fulvicin,griseofulvina,griseofulvinum,grisactin,grisefuline,grisovin,griseofulvine PubChem CID: 441140 ChEBI: CHEBI:27779 IUPAC Name: (2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione SMILES: CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC
| PubChem CID | 441140 |
|---|---|
| CAS | 126-07-8 |
| Molecular Weight (g/mol) | 352.767 |
| ChEBI | CHEBI:27779 |
| MDL Number | MFCD00082343 |
| SMILES | CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC |
| Synonym | griseofulvin,+-griseofulvin,amudane,fulvicin,griseofulvina,griseofulvinum,grisactin,grisefuline,grisovin,griseofulvine |
| IUPAC Name | (2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione |
| InChI Key | DDUHZTYCFQRHIY-RBHXEPJQSA-N |
| Molecular Formula | C17H17ClO6 |
Ethyl 2-Bromopropionate 98.0+%, TCI America™
CAS: 535-11-5 Molecular Formula: C5H9BrO2 Molecular Weight (g/mol): 181.03 MDL Number: MFCD00000144 InChI Key: ARFLASKVLJTEJD-UHFFFAOYNA-N Synonym: ethyl 2-bromopropionate,ethyl alpha-bromopropionate,ethyl-2-bromopropionate,2-bromopropanoic acid ethyl ester,propanoic acid, 2-bromo-, ethyl ester,alpha-bromopropionic acid ethyl ester,ethyl a-bromopropionate,dl-ethyl 2-bromopropionate,2-bromopropionic acid ethyl ester,ethyl alpha-bromopropanoate PubChem CID: 79040 IUPAC Name: ethyl 2-bromopropanoate SMILES: CCOC(=O)C(C)Br
| PubChem CID | 79040 |
|---|---|
| CAS | 535-11-5 |
| Molecular Weight (g/mol) | 181.03 |
| MDL Number | MFCD00000144 |
| SMILES | CCOC(=O)C(C)Br |
| Synonym | ethyl 2-bromopropionate,ethyl alpha-bromopropionate,ethyl-2-bromopropionate,2-bromopropanoic acid ethyl ester,propanoic acid, 2-bromo-, ethyl ester,alpha-bromopropionic acid ethyl ester,ethyl a-bromopropionate,dl-ethyl 2-bromopropionate,2-bromopropionic acid ethyl ester,ethyl alpha-bromopropanoate |
| IUPAC Name | ethyl 2-bromopropanoate |
| InChI Key | ARFLASKVLJTEJD-UHFFFAOYNA-N |
| Molecular Formula | C5H9BrO2 |
N-Octadecylurea 97.0+%, TCI America™
CAS: 2158-08-9 Molecular Formula: C19H40N2O Molecular Weight (g/mol): 312.54 MDL Number: MFCD00043623 InChI Key: GJNDMSSZEBNLPU-UHFFFAOYSA-N PubChem CID: 75090 IUPAC Name: octadecylurea SMILES: CCCCCCCCCCCCCCCCCCNC(=O)N
| PubChem CID | 75090 |
|---|---|
| CAS | 2158-08-9 |
| Molecular Weight (g/mol) | 312.54 |
| MDL Number | MFCD00043623 |
| SMILES | CCCCCCCCCCCCCCCCCCNC(=O)N |
| IUPAC Name | octadecylurea |
| InChI Key | GJNDMSSZEBNLPU-UHFFFAOYSA-N |
| Molecular Formula | C19H40N2O |
Diethyl Fluoromalonate 95.0+%, TCI America™
CAS: 685-88-1 Molecular Formula: C7H11FO4 Molecular Weight (g/mol): 178.159 MDL Number: MFCD00009139 InChI Key: GOWQBFVDZPZZFA-UHFFFAOYSA-N PubChem CID: 12702 IUPAC Name: diethyl 2-fluoropropanedioate SMILES: CCOC(=O)C(C(=O)OCC)F
| PubChem CID | 12702 |
|---|---|
| CAS | 685-88-1 |
| Molecular Weight (g/mol) | 178.159 |
| MDL Number | MFCD00009139 |
| SMILES | CCOC(=O)C(C(=O)OCC)F |
| IUPAC Name | diethyl 2-fluoropropanedioate |
| InChI Key | GOWQBFVDZPZZFA-UHFFFAOYSA-N |
| Molecular Formula | C7H11FO4 |