Organic acids and derivatives
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Ethyl 2-bromo-4,4,4-trifluorobutyrate, 97%
CAS: 367-33-9 Molecular Formula: C6H8BrF3O2 Molecular Weight (g/mol): 249.027 MDL Number: MFCD10687235 InChI Key: POVYUFTVLGOXEE-UHFFFAOYSA-N Synonym: 2-bromo-4,4,4-trifluorobutyric acid ethyl ester,ethyl 2-bromo-4,4,4-trifluorobutyrate,ethyl 2-bromo-4,4,4-trifluoro-butanoate,butanoic acid,2-bromo-4,4,4-trifluoro-, ethyl ester PubChem CID: 45594306 IUPAC Name: ethyl 2-bromo-4,4,4-trifluorobutanoate SMILES: CCOC(=O)C(CC(F)(F)F)Br
| PubChem CID | 45594306 |
|---|---|
| CAS | 367-33-9 |
| Molecular Weight (g/mol) | 249.027 |
| MDL Number | MFCD10687235 |
| SMILES | CCOC(=O)C(CC(F)(F)F)Br |
| Synonym | 2-bromo-4,4,4-trifluorobutyric acid ethyl ester,ethyl 2-bromo-4,4,4-trifluorobutyrate,ethyl 2-bromo-4,4,4-trifluoro-butanoate,butanoic acid,2-bromo-4,4,4-trifluoro-, ethyl ester |
| IUPAC Name | ethyl 2-bromo-4,4,4-trifluorobutanoate |
| InChI Key | POVYUFTVLGOXEE-UHFFFAOYSA-N |
| Molecular Formula | C6H8BrF3O2 |
1H-Pyrazole-3-boronic acid pinacol ester, 95%
CAS: 844501-71-9 Molecular Formula: C9H15BN2O2 Molecular Weight (g/mol): 194.041 MDL Number: MFCD07368044 InChI Key: KWLOIDOKWUESNM-UHFFFAOYSA-N Synonym: 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1h-pyrazole-3-boronic acid pinacol ester,pyrazole-3-boronic acid pinacol ester,3-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-pyrazole,3-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1h-pyrazole-5-boronic acid pinacol ester,3-4,4,5,5-tetramethyl-1,3,2-dioxabolone-pyrrazole,1h-pyrazol-3-yl-boronic acid pinacol ester,3-4,4,5,5-tetramethyl-1,3,2-dioxaborolone-pyrrazole PubChem CID: 21931539 IUPAC Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2
| PubChem CID | 21931539 |
|---|---|
| CAS | 844501-71-9 |
| Molecular Weight (g/mol) | 194.041 |
| MDL Number | MFCD07368044 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2 |
| Synonym | 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1h-pyrazole-3-boronic acid pinacol ester,pyrazole-3-boronic acid pinacol ester,3-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-pyrazole,3-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1h-pyrazole-5-boronic acid pinacol ester,3-4,4,5,5-tetramethyl-1,3,2-dioxabolone-pyrrazole,1h-pyrazol-3-yl-boronic acid pinacol ester,3-4,4,5,5-tetramethyl-1,3,2-dioxaborolone-pyrrazole |
| IUPAC Name | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole |
| InChI Key | KWLOIDOKWUESNM-UHFFFAOYSA-N |
| Molecular Formula | C9H15BN2O2 |
4-Biphenylacetic acid, 98%
CAS: 5728-52-9 MDL Number: MFCD00004351 InChI Key: QRZAKQDHEVVFRX-UHFFFAOYSA-N Synonym: 4-biphenylacetic acid,felbinac,4-biphenylylacetic acid,traxam,dolinac,4-carboxymethylbiphenyl,napageln,2-4-phenylphenyl acetic acid,p-biphenylylacetic acid,1,1'-biphenyl-4-acetic acid PubChem CID: 3332 ChEBI: CHEBI:31597 IUPAC Name: 2-(4-phenylphenyl)acetic acid SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O
| PubChem CID | 3332 |
|---|---|
| CAS | 5728-52-9 |
| ChEBI | CHEBI:31597 |
| MDL Number | MFCD00004351 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O |
| Synonym | 4-biphenylacetic acid,felbinac,4-biphenylylacetic acid,traxam,dolinac,4-carboxymethylbiphenyl,napageln,2-4-phenylphenyl acetic acid,p-biphenylylacetic acid,1,1'-biphenyl-4-acetic acid |
| IUPAC Name | 2-(4-phenylphenyl)acetic acid |
| InChI Key | QRZAKQDHEVVFRX-UHFFFAOYSA-N |
n-Butyl propionate, 99+%
CAS: 590-01-2 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00009448 InChI Key: BTMVHUNTONAYDX-UHFFFAOYSA-N Synonym: butyl propionate,n-butyl propionate,propanoic acid, butyl ester,n-butyl propanoate,propionic acid, butyl ester,propionic acid butyl ester,unii-2nxc4ak99e,butyl propionate natural,fema no. 2211,n-butyl n-propionate PubChem CID: 11529 IUPAC Name: butyl propanoate SMILES: CCCCOC(=O)CC
| PubChem CID | 11529 |
|---|---|
| CAS | 590-01-2 |
| Molecular Weight (g/mol) | 130.19 |
| MDL Number | MFCD00009448 |
| SMILES | CCCCOC(=O)CC |
| Synonym | butyl propionate,n-butyl propionate,propanoic acid, butyl ester,n-butyl propanoate,propionic acid, butyl ester,propionic acid butyl ester,unii-2nxc4ak99e,butyl propionate natural,fema no. 2211,n-butyl n-propionate |
| IUPAC Name | butyl propanoate |
| InChI Key | BTMVHUNTONAYDX-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
4,4,5,5-Tetramethyl-2-(2-methyl-3-furyl)-1,3,2-dioxaborolane, 90%
CAS: 864776-02-3 Molecular Formula: C11H17BO3 Molecular Weight (g/mol): 208.06 MDL Number: MFCD09879905 InChI Key: JMLBPHNESOKSEV-UHFFFAOYSA-N Synonym: 4,4,5,5-tetramethyl-2-2-methylfuran-3-yl-1,3,2-dioxaborolane,2-methylfuran-3-boronic acid, pinacol ester,4,4,5,5-tetramethyl-2-2-methyl-3-furanyl-1,3,2-dioxaborolane,1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-2-methyl-3-furanyl,4,4,5,5-tetramethyl-2-2-methyl-3-furyl-1,3,2-dioxaborolane,pubchem18438,2-2-methylfur-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-methyl-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl furan,4,4,5,5-tetramethyl-2-2-methyl 3-furyl-1,3,2-dioxaborolane,3-hydroxy-2,3-dimethylbutan-2-yl hydrogen 2-methylfuran-3-yl boronate PubChem CID: 24229547 IUPAC Name: 4,4,5,5-tetramethyl-2-(2-methylfuran-3-yl)-1,3,2-dioxaborolane SMILES: CC1=C(C=CO1)B1OC(C)(C)C(C)(C)O1
| PubChem CID | 24229547 |
|---|---|
| CAS | 864776-02-3 |
| Molecular Weight (g/mol) | 208.06 |
| MDL Number | MFCD09879905 |
| SMILES | CC1=C(C=CO1)B1OC(C)(C)C(C)(C)O1 |
| Synonym | 4,4,5,5-tetramethyl-2-2-methylfuran-3-yl-1,3,2-dioxaborolane,2-methylfuran-3-boronic acid, pinacol ester,4,4,5,5-tetramethyl-2-2-methyl-3-furanyl-1,3,2-dioxaborolane,1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-2-methyl-3-furanyl,4,4,5,5-tetramethyl-2-2-methyl-3-furyl-1,3,2-dioxaborolane,pubchem18438,2-2-methylfur-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-methyl-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl furan,4,4,5,5-tetramethyl-2-2-methyl 3-furyl-1,3,2-dioxaborolane,3-hydroxy-2,3-dimethylbutan-2-yl hydrogen 2-methylfuran-3-yl boronate |
| IUPAC Name | 4,4,5,5-tetramethyl-2-(2-methylfuran-3-yl)-1,3,2-dioxaborolane |
| InChI Key | JMLBPHNESOKSEV-UHFFFAOYSA-N |
| Molecular Formula | C11H17BO3 |
Diethyl 2,2-diethoxyethylphosphonate, 96%
CAS: 7598-61-0 Molecular Formula: C10H23O5P Molecular Weight (g/mol): 254.263 MDL Number: MFCD00009236 InChI Key: LUQYELQXRPNKRY-UHFFFAOYSA-N Synonym: diethyl 2,2-diethoxyethylphosphonate,diethyl 2,2-diethoxyethyl phosphonate,diethyl2,2-diethoxyethylphosphonate,2,2-diethoxyethylphosphonic acid diethyl ester,phosphonic acid, 2,2-diethoxyethyl-, diethyl ester,2,2-diethoxyethyl diethoxyphosphino-1-one,diethyl phosphonacetaldehyde diethyl acetal,diethylphosphonoacetaldehyde diethylacetal,2-diethoxyphosphoryl-1,1-diethoxy-ethane PubChem CID: 82071 IUPAC Name: 2-diethoxyphosphoryl-1,1-diethoxyethane SMILES: CCOC(CP(=O)(OCC)OCC)OCC
| PubChem CID | 82071 |
|---|---|
| CAS | 7598-61-0 |
| Molecular Weight (g/mol) | 254.263 |
| MDL Number | MFCD00009236 |
| SMILES | CCOC(CP(=O)(OCC)OCC)OCC |
| Synonym | diethyl 2,2-diethoxyethylphosphonate,diethyl 2,2-diethoxyethyl phosphonate,diethyl2,2-diethoxyethylphosphonate,2,2-diethoxyethylphosphonic acid diethyl ester,phosphonic acid, 2,2-diethoxyethyl-, diethyl ester,2,2-diethoxyethyl diethoxyphosphino-1-one,diethyl phosphonacetaldehyde diethyl acetal,diethylphosphonoacetaldehyde diethylacetal,2-diethoxyphosphoryl-1,1-diethoxy-ethane |
| IUPAC Name | 2-diethoxyphosphoryl-1,1-diethoxyethane |
| InChI Key | LUQYELQXRPNKRY-UHFFFAOYSA-N |
| Molecular Formula | C10H23O5P |
tert-Butyl chloroacetate, 98%
CAS: 107-59-5 Molecular Formula: C6H11ClO2 Molecular Weight (g/mol): 150.602 MDL Number: MFCD00000930 InChI Key: KUYMVWXKHQSIAS-UHFFFAOYSA-N Synonym: tert-butyl chloroacetate,chloroacetic acid tert-butyl ester,acetic acid, chloro-, 1,1-dimethylethyl ester,t-butyl chloroacetate,tert-butylchloroacetate,acetic acid, chloro-, tert-butyl ester,chloroacetic acid t-butyl ester,acetic acid, 2-chloro-, 1,1-dimethylethyl ester,t-butylchloroacetate,t-butyl-chloroacetate PubChem CID: 66052 IUPAC Name: tert-butyl 2-chloroacetate SMILES: CC(C)(C)OC(=O)CCl
| PubChem CID | 66052 |
|---|---|
| CAS | 107-59-5 |
| Molecular Weight (g/mol) | 150.602 |
| MDL Number | MFCD00000930 |
| SMILES | CC(C)(C)OC(=O)CCl |
| Synonym | tert-butyl chloroacetate,chloroacetic acid tert-butyl ester,acetic acid, chloro-, 1,1-dimethylethyl ester,t-butyl chloroacetate,tert-butylchloroacetate,acetic acid, chloro-, tert-butyl ester,chloroacetic acid t-butyl ester,acetic acid, 2-chloro-, 1,1-dimethylethyl ester,t-butylchloroacetate,t-butyl-chloroacetate |
| IUPAC Name | tert-butyl 2-chloroacetate |
| InChI Key | KUYMVWXKHQSIAS-UHFFFAOYSA-N |
| Molecular Formula | C6H11ClO2 |
5-Bromo-4-Chloro-3-Indolyl Phosphate Disodium Salt, MP Biomedicals™
CAS: 102185-33-1 Molecular Formula: C8H4BrClNNa2O4P Molecular Weight (g/mol): 370.43 MDL Number: MFCD00036757 InChI Key: OAZUOCJOEUNDEK-UHFFFAOYSA-L PubChem CID: 6097197 IUPAC Name: disodium 5-bromo-4-chloro-1H-indol-3-yl phosphate SMILES: [Na+].[Na+].[O-]P([O-])(=O)OC1=CNC2=CC=C(Br)C(Cl)=C12
| PubChem CID | 6097197 |
|---|---|
| CAS | 102185-33-1 |
| Molecular Weight (g/mol) | 370.43 |
| MDL Number | MFCD00036757 |
| SMILES | [Na+].[Na+].[O-]P([O-])(=O)OC1=CNC2=CC=C(Br)C(Cl)=C12 |
| IUPAC Name | disodium 5-bromo-4-chloro-1H-indol-3-yl phosphate |
| InChI Key | OAZUOCJOEUNDEK-UHFFFAOYSA-L |
| Molecular Formula | C8H4BrClNNa2O4P |
trans-2-Hexenyl acetate, 98%
CAS: 2497-18-9 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00009474 InChI Key: HRHOWZHRCRZVCU-AATRIKPKSA-N Synonym: z-hex-2-enyl acetate,unii-pt792bq57d,2-hexen-1-ol, acetate, z,z-2-hexenyl acetate,fema no. 2564,2-hexen-1-yl acetate, trans,2-hexen-1-ol, acetate, 2e,2-hexenyl acetate, trans,hexenyl acetate, 2z PubChem CID: 2733294 IUPAC Name: [(E)-hex-2-enyl] acetate SMILES: CCCC=CCOC(=O)C
| PubChem CID | 2733294 |
|---|---|
| CAS | 2497-18-9 |
| Molecular Weight (g/mol) | 142.198 |
| MDL Number | MFCD00009474 |
| SMILES | CCCC=CCOC(=O)C |
| Synonym | z-hex-2-enyl acetate,unii-pt792bq57d,2-hexen-1-ol, acetate, z,z-2-hexenyl acetate,fema no. 2564,2-hexen-1-yl acetate, trans,2-hexen-1-ol, acetate, 2e,2-hexenyl acetate, trans,hexenyl acetate, 2z |
| IUPAC Name | [(E)-hex-2-enyl] acetate |
| InChI Key | HRHOWZHRCRZVCU-AATRIKPKSA-N |
| Molecular Formula | C8H14O2 |
Trimethylolpropane triacrylate, stabilized
CAS: 15625-89-5 Molecular Formula: C15H20O6 Molecular Weight (g/mol): 296.32 MDL Number: MFCD00008628 InChI Key: DAKWPKUUDNSNPN-UHFFFAOYSA-N Synonym: trimethylolpropane triacrylate,tmpta,viscoat 295,nk ester a tmpt,sartomer sr 351,ogumont t 200,saret 351,setalux uv 2241,ccris 92,unii-4b67kgl96s PubChem CID: 27423 ChEBI: CHEBI:35028 IUPAC Name: 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate SMILES: CCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
| PubChem CID | 27423 |
|---|---|
| CAS | 15625-89-5 |
| Molecular Weight (g/mol) | 296.32 |
| ChEBI | CHEBI:35028 |
| MDL Number | MFCD00008628 |
| SMILES | CCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C |
| Synonym | trimethylolpropane triacrylate,tmpta,viscoat 295,nk ester a tmpt,sartomer sr 351,ogumont t 200,saret 351,setalux uv 2241,ccris 92,unii-4b67kgl96s |
| IUPAC Name | 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate |
| InChI Key | DAKWPKUUDNSNPN-UHFFFAOYSA-N |
| Molecular Formula | C15H20O6 |
| CAS | 1068-57-1 |
|---|
Ethyl thiophene-3-carboxylate, 98%
CAS: 5751-80-4 Molecular Formula: C7H8O2S Molecular Weight (g/mol): 156.199 MDL Number: MFCD02179226 InChI Key: OYSLMAQEMAJMCL-UHFFFAOYSA-N Synonym: ethyl 3-thenoate,ethyl 3-thiophenecarboxylate,ethylthiophene-3-carboxylate,3-ethoxycarbonyl thiophene,3-thiophenecarboxylic acid ethyl ester,3-thiophenecarboxylic acid, ethyl ester,thiophene-3-carboxylic acid ethyl ester,pubchem16116,ksc493o3n PubChem CID: 79824 IUPAC Name: ethyl thiophene-3-carboxylate SMILES: CCOC(=O)C1=CSC=C1
| PubChem CID | 79824 |
|---|---|
| CAS | 5751-80-4 |
| Molecular Weight (g/mol) | 156.199 |
| MDL Number | MFCD02179226 |
| SMILES | CCOC(=O)C1=CSC=C1 |
| Synonym | ethyl 3-thenoate,ethyl 3-thiophenecarboxylate,ethylthiophene-3-carboxylate,3-ethoxycarbonyl thiophene,3-thiophenecarboxylic acid ethyl ester,3-thiophenecarboxylic acid, ethyl ester,thiophene-3-carboxylic acid ethyl ester,pubchem16116,ksc493o3n |
| IUPAC Name | ethyl thiophene-3-carboxylate |
| InChI Key | OYSLMAQEMAJMCL-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2S |
Diethyl bromomalonate, 90+%
CAS: 685-87-0 Molecular Formula: C7H11BrO4 Molecular Weight (g/mol): 239.065 MDL Number: MFCD00009138 InChI Key: FNJVDWXUKLTFFL-UHFFFAOYSA-N Synonym: diethyl bromomalonate,diethyl 2-bromomalonate,bromomalonic acid diethyl ester,ethyl bromomalonate,diethylbromomalonate,propanedioic acid, bromo-, diethyl ester,1,3-diethyl 2-bromopropanedioate,diethyl bromopropanedioate,malonic acid, bromo-, diethyl ester,propanedioic acid, 2-bromo-, 1,3-diethyl ester PubChem CID: 69637 IUPAC Name: diethyl 2-bromopropanedioate SMILES: CCOC(=O)C(C(=O)OCC)Br
| PubChem CID | 69637 |
|---|---|
| CAS | 685-87-0 |
| Molecular Weight (g/mol) | 239.065 |
| MDL Number | MFCD00009138 |
| SMILES | CCOC(=O)C(C(=O)OCC)Br |
| Synonym | diethyl bromomalonate,diethyl 2-bromomalonate,bromomalonic acid diethyl ester,ethyl bromomalonate,diethylbromomalonate,propanedioic acid, bromo-, diethyl ester,1,3-diethyl 2-bromopropanedioate,diethyl bromopropanedioate,malonic acid, bromo-, diethyl ester,propanedioic acid, 2-bromo-, 1,3-diethyl ester |
| IUPAC Name | diethyl 2-bromopropanedioate |
| InChI Key | FNJVDWXUKLTFFL-UHFFFAOYSA-N |
| Molecular Formula | C7H11BrO4 |
N-Benzoyl-N-phenylhydroxylamine, 98%
CAS: 304-88-1 Molecular Formula: C13H11NO2 Molecular Weight (g/mol): 213.24 MDL Number: MFCD00002111 InChI Key: YLYIXDZITBMCIW-UHFFFAOYSA-N Synonym: n-benzoyl-n-phenylhydroxylamine,n-phenylbenzohydroxamic acid,n-hydroxybenzanilide,benzamide, n-hydroxy-n-phenyl,n-benzoyl-n-phenylhydroxamic acid,n-benzoylphenylhydroxylamine,benzohydroxamic acid, n-phenyl,tantalon,acmc-1cqm9,n-phenylbenzohydroxamicacid PubChem CID: 67536 IUPAC Name: N-hydroxy-N-phenylbenzamide SMILES: ON(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 67536 |
|---|---|
| CAS | 304-88-1 |
| Molecular Weight (g/mol) | 213.24 |
| MDL Number | MFCD00002111 |
| SMILES | ON(C(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | n-benzoyl-n-phenylhydroxylamine,n-phenylbenzohydroxamic acid,n-hydroxybenzanilide,benzamide, n-hydroxy-n-phenyl,n-benzoyl-n-phenylhydroxamic acid,n-benzoylphenylhydroxylamine,benzohydroxamic acid, n-phenyl,tantalon,acmc-1cqm9,n-phenylbenzohydroxamicacid |
| IUPAC Name | N-hydroxy-N-phenylbenzamide |
| InChI Key | YLYIXDZITBMCIW-UHFFFAOYSA-N |
| Molecular Formula | C13H11NO2 |