Organic acids and derivatives
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2-Fluoro-6-methoxyphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 78495-63-3 Molecular Formula: C7H8BFO3 MDL Number: MFCD02179483 InChI Key: XOVMDVZAWWQSDC-UHFFFAOYSA-N PubChem CID: 3294524 IUPAC Name: (2-fluoro-6-methoxyphenyl)boronic acid
| PubChem CID | 3294524 |
|---|---|
| CAS | 78495-63-3 |
| MDL Number | MFCD02179483 |
| IUPAC Name | (2-fluoro-6-methoxyphenyl)boronic acid |
| InChI Key | XOVMDVZAWWQSDC-UHFFFAOYSA-N |
| Molecular Formula | C7H8BFO3 |
2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 95.0+%, TCI America™
CAS: 126689-01-8 Molecular Formula: C9H17BO2 Molecular Weight (g/mol): 168.04 MDL Number: MFCD05663847 InChI Key: XGBMQBPLWXTEPM-UHFFFAOYSA-N Synonym: cyclopropylboronic acid pinacol ester,cyclopropylboronic acid, pinacol ester,4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl cyclopropane,1,3,2-dioxaborolane, 2-cyclopropyl-4,4,5,5-tetramethyl,2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2 dioxaborolane,2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborol,cypbe,pubchem4015,pubchem7931,acmc-209bbh PubChem CID: 2758015 IUPAC Name: 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C1CC1
| PubChem CID | 2758015 |
|---|---|
| CAS | 126689-01-8 |
| Molecular Weight (g/mol) | 168.04 |
| MDL Number | MFCD05663847 |
| SMILES | CC1(C)OB(OC1(C)C)C1CC1 |
| Synonym | cyclopropylboronic acid pinacol ester,cyclopropylboronic acid, pinacol ester,4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl cyclopropane,1,3,2-dioxaborolane, 2-cyclopropyl-4,4,5,5-tetramethyl,2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2 dioxaborolane,2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborol,cypbe,pubchem4015,pubchem7931,acmc-209bbh |
| IUPAC Name | 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | XGBMQBPLWXTEPM-UHFFFAOYSA-N |
| Molecular Formula | C9H17BO2 |
4-Fluoro-2-methoxyphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 179899-07-1 Molecular Formula: C7H8BFO3 Molecular Weight (g/mol): 169.95 MDL Number: MFCD03788423 InChI Key: ADJBXDCXYMCCAD-UHFFFAOYSA-N PubChem CID: 2782672 IUPAC Name: (4-fluoro-2-methoxyphenyl)boronic acid SMILES: COC1=CC(F)=CC=C1B(O)O
| PubChem CID | 2782672 |
|---|---|
| CAS | 179899-07-1 |
| Molecular Weight (g/mol) | 169.95 |
| MDL Number | MFCD03788423 |
| SMILES | COC1=CC(F)=CC=C1B(O)O |
| IUPAC Name | (4-fluoro-2-methoxyphenyl)boronic acid |
| InChI Key | ADJBXDCXYMCCAD-UHFFFAOYSA-N |
| Molecular Formula | C7H8BFO3 |
4-Pyridylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 1692-15-5 Molecular Formula: C5H6BNO2 Molecular Weight (g/mol): 122.92 MDL Number: MFCD01074545 InChI Key: QLULGIRFKAWHOJ-UHFFFAOYSA-N PubChem CID: 2734379 IUPAC Name: (pyridin-4-yl)boronic acid SMILES: OB(O)C1=CC=NC=C1
| PubChem CID | 2734379 |
|---|---|
| CAS | 1692-15-5 |
| Molecular Weight (g/mol) | 122.92 |
| MDL Number | MFCD01074545 |
| SMILES | OB(O)C1=CC=NC=C1 |
| IUPAC Name | (pyridin-4-yl)boronic acid |
| InChI Key | QLULGIRFKAWHOJ-UHFFFAOYSA-N |
| Molecular Formula | C5H6BNO2 |
S-Ethyl Thiopropionate 98.0+%, TCI America™
CAS: 2432-42-0 Molecular Formula: C5H10OS Molecular Weight (g/mol): 118.194 MDL Number: MFCD00027016 InChI Key: HNEVHBHRLCAKKQ-UHFFFAOYSA-N Synonym: s-ethyl thiopropionate,ethyl thiopropionate,propanethioic acid, s-ethyl ester,thiopropionic acid s-ethyl ester,1-ethylsulfanyl propan-1-one,ethanethiol propionate,acmc-1ceeh,propanethioicacid,s-ethylester,thiopropionic acid, s-ethyl ester,propanethioic acid,s-ethyl ester PubChem CID: 75513 IUPAC Name: S-ethyl propanethioate SMILES: CCC(=O)SCC
| PubChem CID | 75513 |
|---|---|
| CAS | 2432-42-0 |
| Molecular Weight (g/mol) | 118.194 |
| MDL Number | MFCD00027016 |
| SMILES | CCC(=O)SCC |
| Synonym | s-ethyl thiopropionate,ethyl thiopropionate,propanethioic acid, s-ethyl ester,thiopropionic acid s-ethyl ester,1-ethylsulfanyl propan-1-one,ethanethiol propionate,acmc-1ceeh,propanethioicacid,s-ethylester,thiopropionic acid, s-ethyl ester,propanethioic acid,s-ethyl ester |
| IUPAC Name | S-ethyl propanethioate |
| InChI Key | HNEVHBHRLCAKKQ-UHFFFAOYSA-N |
| Molecular Formula | C5H10OS |
Spironolactone 98.0+%, TCI America™
CAS: 52-01-7 Molecular Formula: C24H32O4S Molecular Weight (g/mol): 416.576 MDL Number: MFCD00082250 InChI Key: LXMSZDCAJNLERA-ZHYRCANASA-N Synonym: spironolactone,aldactone,spirolactone,verospiron,euteberol,spiroctan,spirolang,verospirone,aldactone a,spironocompren PubChem CID: 5833 ChEBI: CHEBI:9241 IUPAC Name: S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate SMILES: CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C
| PubChem CID | 5833 |
|---|---|
| CAS | 52-01-7 |
| Molecular Weight (g/mol) | 416.576 |
| ChEBI | CHEBI:9241 |
| MDL Number | MFCD00082250 |
| SMILES | CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C |
| Synonym | spironolactone,aldactone,spirolactone,verospiron,euteberol,spiroctan,spirolang,verospirone,aldactone a,spironocompren |
| IUPAC Name | S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate |
| InChI Key | LXMSZDCAJNLERA-ZHYRCANASA-N |
| Molecular Formula | C24H32O4S |
S-Ethyl Trifluorothioacetate 98.0+%, TCI America™
CAS: 383-64-2 Molecular Formula: C4H5F3OS Molecular Weight (g/mol): 158.138 MDL Number: MFCD00000421 InChI Key: VGGUKFAVHPGNBF-UHFFFAOYSA-N Synonym: s-ethyl trifluorothioacetate,ethanethioic acid, trifluoro-, s-ethyl ester,ethyl trifluorothiolacetate,s-ethyl trifluoroethanethioate,trifluoroacetonylmercaptoethanol,acetic acid, trifluorothio-, s-ethyl ester,s-ethylthiotrifluoroacetate,trifluorothioacetic acid s-ethyl ester,ethanethioic acid, 2,2,2-trifluoro-, s-ethyl ester,1-ethylsulfanyl-2,2,2-trifluoroethanone PubChem CID: 67844 IUPAC Name: S-ethyl 2,2,2-trifluoroethanethioate SMILES: CCSC(=O)C(F)(F)F
| PubChem CID | 67844 |
|---|---|
| CAS | 383-64-2 |
| Molecular Weight (g/mol) | 158.138 |
| MDL Number | MFCD00000421 |
| SMILES | CCSC(=O)C(F)(F)F |
| Synonym | s-ethyl trifluorothioacetate,ethanethioic acid, trifluoro-, s-ethyl ester,ethyl trifluorothiolacetate,s-ethyl trifluoroethanethioate,trifluoroacetonylmercaptoethanol,acetic acid, trifluorothio-, s-ethyl ester,s-ethylthiotrifluoroacetate,trifluorothioacetic acid s-ethyl ester,ethanethioic acid, 2,2,2-trifluoro-, s-ethyl ester,1-ethylsulfanyl-2,2,2-trifluoroethanone |
| IUPAC Name | S-ethyl 2,2,2-trifluoroethanethioate |
| InChI Key | VGGUKFAVHPGNBF-UHFFFAOYSA-N |
| Molecular Formula | C4H5F3OS |
4,4,5,5-Tetramethyl-2-(2-methyl-1-propenyl)-1,3,2-dioxaborolane 98.0+%, TCI America™
CAS: 126689-00-7 Molecular Formula: C10H19BO2 Molecular Weight (g/mol): 182.07 MDL Number: MFCD09842762 InChI Key: LWXHOCHDERDUID-UHFFFAOYSA-N Synonym: (2-Methyl-1-propenyl)boronic Acid Pinacol Ester PubChem CID: 15148447 IUPAC Name: 4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C=C(C)C
| PubChem CID | 15148447 |
|---|---|
| CAS | 126689-00-7 |
| Molecular Weight (g/mol) | 182.07 |
| MDL Number | MFCD09842762 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C=C(C)C |
| Synonym | (2-Methyl-1-propenyl)boronic Acid Pinacol Ester |
| IUPAC Name | 4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane |
| InChI Key | LWXHOCHDERDUID-UHFFFAOYSA-N |
| Molecular Formula | C10H19BO2 |
2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (stabilized with Phenothiazine) 96.0+%, TCI America™
CAS: 72824-04-5 Molecular Formula: C9H17BO2 Molecular Weight (g/mol): 168.04 MDL Number: MFCD00013347 InChI Key: YMHIEPNFCBNQQU-UHFFFAOYSA-N Synonym: allylboronic acid pinacol ester,2-allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,allylboronic acid, pinacol cyclic ester,4,4,5,5-tetramethyl-2-prop-2-en-1-yl-1,3,2-dioxaborolane,allylboronic acid piracol ester,1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-2-propenyl,2-prop-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,allylboronicacidpinacolester,pinacol allylboronate,abape PubChem CID: 2763171 IUPAC Name: 4,4,5,5-tetramethyl-2-(prop-2-en-1-yl)-1,3,2-dioxaborolane SMILES: CC1(C)OB(CC=C)OC1(C)C
| PubChem CID | 2763171 |
|---|---|
| CAS | 72824-04-5 |
| Molecular Weight (g/mol) | 168.04 |
| MDL Number | MFCD00013347 |
| SMILES | CC1(C)OB(CC=C)OC1(C)C |
| Synonym | allylboronic acid pinacol ester,2-allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,allylboronic acid, pinacol cyclic ester,4,4,5,5-tetramethyl-2-prop-2-en-1-yl-1,3,2-dioxaborolane,allylboronic acid piracol ester,1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-2-propenyl,2-prop-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,allylboronicacidpinacolester,pinacol allylboronate,abape |
| IUPAC Name | 4,4,5,5-tetramethyl-2-(prop-2-en-1-yl)-1,3,2-dioxaborolane |
| InChI Key | YMHIEPNFCBNQQU-UHFFFAOYSA-N |
| Molecular Formula | C9H17BO2 |
Cyclopentylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 63076-51-7 Molecular Formula: C5H11BO2 MDL Number: MFCD01074541 InChI Key: VTTDFSNKIMAQTB-UHFFFAOYSA-N PubChem CID: 2734327 IUPAC Name: cyclopentylboronic acid
| PubChem CID | 2734327 |
|---|---|
| CAS | 63076-51-7 |
| MDL Number | MFCD01074541 |
| IUPAC Name | cyclopentylboronic acid |
| InChI Key | VTTDFSNKIMAQTB-UHFFFAOYSA-N |
| Molecular Formula | C5H11BO2 |
3-(tert-Butoxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 220210-56-0 Molecular Formula: C11H15BO4 Molecular Weight (g/mol): 222.05 MDL Number: MFCD01630855 InChI Key: HVJDVHCPCSZDSR-UHFFFAOYSA-N PubChem CID: 2773299 IUPAC Name: {3-[(tert-butoxy)carbonyl]phenyl}boronic acid SMILES: CC(C)(C)OC(=O)C1=CC=CC(=C1)B(O)O
| PubChem CID | 2773299 |
|---|---|
| CAS | 220210-56-0 |
| Molecular Weight (g/mol) | 222.05 |
| MDL Number | MFCD01630855 |
| SMILES | CC(C)(C)OC(=O)C1=CC=CC(=C1)B(O)O |
| IUPAC Name | {3-[(tert-butoxy)carbonyl]phenyl}boronic acid |
| InChI Key | HVJDVHCPCSZDSR-UHFFFAOYSA-N |
| Molecular Formula | C11H15BO4 |
Quinoline-3-boronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 191162-39-7 Molecular Formula: C9H8BNO2 Molecular Weight (g/mol): 172.98 MDL Number: MFCD02183527 InChI Key: YGDICLRMNDWZAK-UHFFFAOYSA-N PubChem CID: 2734663 IUPAC Name: (quinolin-3-yl)boronic acid SMILES: OB(O)C1=CC2=CC=CC=C2N=C1
| PubChem CID | 2734663 |
|---|---|
| CAS | 191162-39-7 |
| Molecular Weight (g/mol) | 172.98 |
| MDL Number | MFCD02183527 |
| SMILES | OB(O)C1=CC2=CC=CC=C2N=C1 |
| IUPAC Name | (quinolin-3-yl)boronic acid |
| InChI Key | YGDICLRMNDWZAK-UHFFFAOYSA-N |
| Molecular Formula | C9H8BNO2 |
Butylboronic Acid (contains varying amounts of Anhydride) [for Esterification], TCI America™
CAS: 4426-47-5 Molecular Formula: C4H11BO2 Molecular Weight (g/mol): 101.94 MDL Number: MFCD00002106 InChI Key: QPKFVRWIISEVCW-UHFFFAOYSA-N Synonym: n-butylboronic acid,1-butylboronic acid,1-butaneboronic acid,n-butaneboronic acid,boronic acid, butyl,1-butane boronic acid,butylboric acid,butyl boronic acid,chembl31962,1-butyldihydroxyborane PubChem CID: 20479 IUPAC Name: butylboronic acid SMILES: CCCCB(O)O
| PubChem CID | 20479 |
|---|---|
| CAS | 4426-47-5 |
| Molecular Weight (g/mol) | 101.94 |
| MDL Number | MFCD00002106 |
| SMILES | CCCCB(O)O |
| Synonym | n-butylboronic acid,1-butylboronic acid,1-butaneboronic acid,n-butaneboronic acid,boronic acid, butyl,1-butane boronic acid,butylboric acid,butyl boronic acid,chembl31962,1-butyldihydroxyborane |
| IUPAC Name | butylboronic acid |
| InChI Key | QPKFVRWIISEVCW-UHFFFAOYSA-N |
| Molecular Formula | C4H11BO2 |
4-(Methoxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 99768-12-4 Molecular Formula: C8H9BO4 MDL Number: MFCD01632203 InChI Key: PQCXFUXRTRESBD-UHFFFAOYSA-N PubChem CID: 2734369
| PubChem CID | 2734369 |
|---|---|
| CAS | 99768-12-4 |
| MDL Number | MFCD01632203 |
| InChI Key | PQCXFUXRTRESBD-UHFFFAOYSA-N |
| Molecular Formula | C8H9BO4 |
1,4-Phenylenediboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 4612-26-4 Molecular Formula: C6H8B2O4 Molecular Weight (g/mol): 165.746 MDL Number: MFCD00236018 InChI Key: BODYVHJTUHHINQ-UHFFFAOYSA-N Synonym: 1,4-benzenediboronic acid,1,4-phenylenediboronic acid,1,4-phenylenebisboronic acid,benzene-1,4-diboronic acid,4-boronophenyl boronic acid PubChem CID: 230478 IUPAC Name: (4-boronophenyl)boronic acid SMILES: B(C1=CC=C(C=C1)B(O)O)(O)O
| PubChem CID | 230478 |
|---|---|
| CAS | 4612-26-4 |
| Molecular Weight (g/mol) | 165.746 |
| MDL Number | MFCD00236018 |
| SMILES | B(C1=CC=C(C=C1)B(O)O)(O)O |
| Synonym | 1,4-benzenediboronic acid,1,4-phenylenediboronic acid,1,4-phenylenebisboronic acid,benzene-1,4-diboronic acid,4-boronophenyl boronic acid |
| IUPAC Name | (4-boronophenyl)boronic acid |
| InChI Key | BODYVHJTUHHINQ-UHFFFAOYSA-N |
| Molecular Formula | C6H8B2O4 |