Organic acids and derivatives
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Benzoyl Trifluoromethanesulfonate 98.0+%, TCI America™
CAS: 36967-85-8 Molecular Formula: C8H5F3O4S Molecular Weight (g/mol): 254.18 MDL Number: MFCD17013536 InChI Key: GEZVJNXOBFDIPM-UHFFFAOYSA-N Synonym: Trifluoromethanesulfonic Acid Benzoyl Ester, Benzoyl Triflate PubChem CID: 11064956 IUPAC Name: trifluoromethanesulfonyl benzoate SMILES: FC(F)(F)S(=O)(=O)OC(=O)C1=CC=CC=C1
| PubChem CID | 11064956 |
|---|---|
| CAS | 36967-85-8 |
| Molecular Weight (g/mol) | 254.18 |
| MDL Number | MFCD17013536 |
| SMILES | FC(F)(F)S(=O)(=O)OC(=O)C1=CC=CC=C1 |
| Synonym | Trifluoromethanesulfonic Acid Benzoyl Ester, Benzoyl Triflate |
| IUPAC Name | trifluoromethanesulfonyl benzoate |
| InChI Key | GEZVJNXOBFDIPM-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O4S |
Ethyl Dibromofluoroacetate 97.0+%, TCI America™
CAS: 565-53-7 Molecular Formula: C4H5Br2FO2 Molecular Weight (g/mol): 263.89 MDL Number: MFCD00042068 InChI Key: COYRDMUQLSIAEX-UHFFFAOYSA-N Synonym: ethyl dibromofluoroacetate,dibromofluoroacetic acid ethyl ester,ethyldibromofluoroacetate,2,2-dibromo-1-ethoxy-2-fluoroethan-1-one,acmc-1aqw2,ethyl 2,2-dibromo-2-fluoracetate,ethyl 2,2-dibromo-2-fluoro-acetate PubChem CID: 2737168 IUPAC Name: ethyl 2,2-dibromo-2-fluoroacetate SMILES: CCOC(=O)C(F)(Br)Br
| PubChem CID | 2737168 |
|---|---|
| CAS | 565-53-7 |
| Molecular Weight (g/mol) | 263.89 |
| MDL Number | MFCD00042068 |
| SMILES | CCOC(=O)C(F)(Br)Br |
| Synonym | ethyl dibromofluoroacetate,dibromofluoroacetic acid ethyl ester,ethyldibromofluoroacetate,2,2-dibromo-1-ethoxy-2-fluoroethan-1-one,acmc-1aqw2,ethyl 2,2-dibromo-2-fluoracetate,ethyl 2,2-dibromo-2-fluoro-acetate |
| IUPAC Name | ethyl 2,2-dibromo-2-fluoroacetate |
| InChI Key | COYRDMUQLSIAEX-UHFFFAOYSA-N |
| Molecular Formula | C4H5Br2FO2 |
7-Hydroxy-1-indanone 98.0+%, TCI America™
CAS: 6968-35-0 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 MDL Number: MFCD01548387 InChI Key: HFMZPBSZKCDKOR-UHFFFAOYSA-N Synonym: 7-hydroxy-1-indanone,7-hydroxy-2,3-dihydro-1h-inden-1-one,7-hydroxyindan-1-one,1h-inden-1-one,2,3-dihydro-7-hydroxy,4h-inden-4-one, 1,2-dihydro-3-hydroxy,7-oxidanyl-2,3-dihydroinden-1-one,7-hydroxyindanone,acmc-20mvbk,pubchem23254,acmc-209wv8 PubChem CID: 248078 IUPAC Name: 7-hydroxy-2,3-dihydro-1H-inden-1-one SMILES: OC1=CC=CC2=C1C(=O)CC2
| PubChem CID | 248078 |
|---|---|
| CAS | 6968-35-0 |
| Molecular Weight (g/mol) | 148.16 |
| MDL Number | MFCD01548387 |
| SMILES | OC1=CC=CC2=C1C(=O)CC2 |
| Synonym | 7-hydroxy-1-indanone,7-hydroxy-2,3-dihydro-1h-inden-1-one,7-hydroxyindan-1-one,1h-inden-1-one,2,3-dihydro-7-hydroxy,4h-inden-4-one, 1,2-dihydro-3-hydroxy,7-oxidanyl-2,3-dihydroinden-1-one,7-hydroxyindanone,acmc-20mvbk,pubchem23254,acmc-209wv8 |
| IUPAC Name | 7-hydroxy-2,3-dihydro-1H-inden-1-one |
| InChI Key | HFMZPBSZKCDKOR-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
5-Chlorooxindole 97.0+%, TCI America™
CAS: 17630-75-0 Molecular Formula: C8H6ClNO Molecular Weight (g/mol): 167.59 MDL Number: MFCD00191927 InChI Key: WWJLCYHYLZZXBE-UHFFFAOYSA-N Synonym: 5-chlorooxindole,5-chloroindolin-2-one,5-chloro-1,3-dihydro-2h-indol-2-one,5-chloro-2-indolinone,5-chloro-1,3-dihydro-indol-2-one,5-chloro-2-oxindole,2h-indol-2-one, 5-chloro-1,3-dihydro,5-chloro-2,3-dihydro-1h-indol-2-one,2-indolinone, 5-chloro,5-chlorooxindol PubChem CID: 152801 IUPAC Name: 5-chloro-2,3-dihydro-1H-indol-2-one SMILES: ClC1=CC=C2NC(=O)CC2=C1
| PubChem CID | 152801 |
|---|---|
| CAS | 17630-75-0 |
| Molecular Weight (g/mol) | 167.59 |
| MDL Number | MFCD00191927 |
| SMILES | ClC1=CC=C2NC(=O)CC2=C1 |
| Synonym | 5-chlorooxindole,5-chloroindolin-2-one,5-chloro-1,3-dihydro-2h-indol-2-one,5-chloro-2-indolinone,5-chloro-1,3-dihydro-indol-2-one,5-chloro-2-oxindole,2h-indol-2-one, 5-chloro-1,3-dihydro,5-chloro-2,3-dihydro-1h-indol-2-one,2-indolinone, 5-chloro,5-chlorooxindol |
| IUPAC Name | 5-chloro-2,3-dihydro-1H-indol-2-one |
| InChI Key | WWJLCYHYLZZXBE-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClNO |
Cystamine Sulfate Hydrate 98.0+%, TCI America™
CAS: 16214-16-7 Molecular Formula: C4H14N2O4S3 Molecular Weight (g/mol): 250.346 MDL Number: MFCD00060254 InChI Key: XVCYODCCYCPADG-UHFFFAOYSA-N PubChem CID: 12998627 IUPAC Name: 2-(2-aminoethyldisulfanyl)ethanamine;sulfuric acid SMILES: C(CSSCCN)N.OS(=O)(=O)O
| PubChem CID | 12998627 |
|---|---|
| CAS | 16214-16-7 |
| Molecular Weight (g/mol) | 250.346 |
| MDL Number | MFCD00060254 |
| SMILES | C(CSSCCN)N.OS(=O)(=O)O |
| IUPAC Name | 2-(2-aminoethyldisulfanyl)ethanamine;sulfuric acid |
| InChI Key | XVCYODCCYCPADG-UHFFFAOYSA-N |
| Molecular Formula | C4H14N2O4S3 |
4-Methylvaleric Acid 97.0+%, TCI America™
CAS: 646-07-1 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00002803 InChI Key: FGKJLKRYENPLQH-UHFFFAOYSA-N Synonym: 4-methylvaleric acid,isocaproic acid,isohexanoic acid,pentanoic acid, 4-methyl,isobutylacetic acid,4-methyl-pentanoic acid,valeric acid, 4-methyl,4-methyl valeric acid,isocaproate,4,4-dimethylbutanoic acid PubChem CID: 12587 ChEBI: CHEBI:74903 IUPAC Name: 4-methylpentanoic acid SMILES: CC(C)CCC(=O)O
| PubChem CID | 12587 |
|---|---|
| CAS | 646-07-1 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:74903 |
| MDL Number | MFCD00002803 |
| SMILES | CC(C)CCC(=O)O |
| Synonym | 4-methylvaleric acid,isocaproic acid,isohexanoic acid,pentanoic acid, 4-methyl,isobutylacetic acid,4-methyl-pentanoic acid,valeric acid, 4-methyl,4-methyl valeric acid,isocaproate,4,4-dimethylbutanoic acid |
| IUPAC Name | 4-methylpentanoic acid |
| InChI Key | FGKJLKRYENPLQH-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
Ethyl 2-(Chloromethyl)acrylate (stabilized with HQ) 98.0+%, TCI America™
CAS: 17435-77-7 Molecular Formula: C6H9ClO2 Molecular Weight (g/mol): 148.59 MDL Number: MFCD01321155 InChI Key: KPXRGIVPSXFJEX-UHFFFAOYSA-N Synonym: 2-(Chloromethyl)acrylic Acid Ethyl Ester PubChem CID: 11073578 IUPAC Name: ethyl 2-(chloromethyl)prop-2-enoate SMILES: CCOC(=O)C(=C)CCl
| PubChem CID | 11073578 |
|---|---|
| CAS | 17435-77-7 |
| Molecular Weight (g/mol) | 148.59 |
| MDL Number | MFCD01321155 |
| SMILES | CCOC(=O)C(=C)CCl |
| Synonym | 2-(Chloromethyl)acrylic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-(chloromethyl)prop-2-enoate |
| InChI Key | KPXRGIVPSXFJEX-UHFFFAOYSA-N |
| Molecular Formula | C6H9ClO2 |
7-Chloro-6-nitro-4-hydroxyquinazoline 98.0+%, TCI America™
CAS: 53449-14-2 Molecular Formula: C8H4ClN3O3 Molecular Weight (g/mol): 225.588 MDL Number: MFCD07772904 InChI Key: URDYTQYZXZKBQT-UHFFFAOYSA-N Synonym: 7-chloro-6-nitroquinazolin-4 3h-one,7-chloro-4-hydroxy-6-nitroquinazoline,7-chloro-6-nitro-4-hydroxyquinazoline,6-nitro-7-chloro-4-hydroxyquinazoline,7-chloro-6-nitroquinazolin-4-ol,7-chloro-6-nitroquinazolin-4-one,7-chloro-6-nitro-quinazolin-4-one,7-chloro-6-nitro-3h-quinazolin-4-one,4 1h-quinazolinone, 7-chloro-6-nitro,7-chloro-6-nitro-3,4-dihydroquinazolin-4-one PubChem CID: 12441237 IUPAC Name: 7-chloro-6-nitro-1H-quinazolin-4-one SMILES: C1=C2C(=CC(=C1[N+](=O)[O-])Cl)NC=NC2=O
| PubChem CID | 12441237 |
|---|---|
| CAS | 53449-14-2 |
| Molecular Weight (g/mol) | 225.588 |
| MDL Number | MFCD07772904 |
| SMILES | C1=C2C(=CC(=C1[N+](=O)[O-])Cl)NC=NC2=O |
| Synonym | 7-chloro-6-nitroquinazolin-4 3h-one,7-chloro-4-hydroxy-6-nitroquinazoline,7-chloro-6-nitro-4-hydroxyquinazoline,6-nitro-7-chloro-4-hydroxyquinazoline,7-chloro-6-nitroquinazolin-4-ol,7-chloro-6-nitroquinazolin-4-one,7-chloro-6-nitro-quinazolin-4-one,7-chloro-6-nitro-3h-quinazolin-4-one,4 1h-quinazolinone, 7-chloro-6-nitro,7-chloro-6-nitro-3,4-dihydroquinazolin-4-one |
| IUPAC Name | 7-chloro-6-nitro-1H-quinazolin-4-one |
| InChI Key | URDYTQYZXZKBQT-UHFFFAOYSA-N |
| Molecular Formula | C8H4ClN3O3 |
2,5-Dichlorobenzenesulfonic Acid Dihydrate 98.0+%, TCI America™
CAS: 88-42-6 Molecular Formula: C6H4Cl2O3S Molecular Weight (g/mol): 227.055 MDL Number: MFCD00035751 InChI Key: LFXZSGVZSSMCMB-UHFFFAOYSA-N PubChem CID: 66616 IUPAC Name: 2,5-dichlorobenzenesulfonic acid SMILES: C1=CC(=C(C=C1Cl)S(=O)(=O)O)Cl
| PubChem CID | 66616 |
|---|---|
| CAS | 88-42-6 |
| Molecular Weight (g/mol) | 227.055 |
| MDL Number | MFCD00035751 |
| SMILES | C1=CC(=C(C=C1Cl)S(=O)(=O)O)Cl |
| IUPAC Name | 2,5-dichlorobenzenesulfonic acid |
| InChI Key | LFXZSGVZSSMCMB-UHFFFAOYSA-N |
| Molecular Formula | C6H4Cl2O3S |
Phenethyl p-Toluenesulfonate 98.0+%, TCI America™
CAS: 4455-09-8 Molecular Formula: C15H16O3S Molecular Weight (g/mol): 276.35 MDL Number: MFCD00059322 InChI Key: CVPPUZPZPFOFPK-UHFFFAOYSA-N Synonym: 2-Phenylethyl p-Toluenesulfonate, p-Toluenesulfonic Acid Phenethyl Ester, p-Toluenesulfonic Acid 2-Phenylethyl Ester PubChem CID: 20522 IUPAC Name: 2-phenylethyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=CC=C2
| PubChem CID | 20522 |
|---|---|
| CAS | 4455-09-8 |
| Molecular Weight (g/mol) | 276.35 |
| MDL Number | MFCD00059322 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=CC=C2 |
| Synonym | 2-Phenylethyl p-Toluenesulfonate, p-Toluenesulfonic Acid Phenethyl Ester, p-Toluenesulfonic Acid 2-Phenylethyl Ester |
| IUPAC Name | 2-phenylethyl 4-methylbenzenesulfonate |
| InChI Key | CVPPUZPZPFOFPK-UHFFFAOYSA-N |
| Molecular Formula | C15H16O3S |
2-Ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 95.0+%, TCI America™
CAS: 82954-89-0 Molecular Formula: C8H17BO2 Molecular Weight (g/mol): 156.032 MDL Number: MFCD19441153 InChI Key: NPUBDPDASOEIOA-UHFFFAOYSA-N Synonym: (4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)ethane, Ethylboronic Acid Pinacol Ester PubChem CID: 10942698 IUPAC Name: 2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)CC
| PubChem CID | 10942698 |
|---|---|
| CAS | 82954-89-0 |
| Molecular Weight (g/mol) | 156.032 |
| MDL Number | MFCD19441153 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)CC |
| Synonym | (4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)ethane, Ethylboronic Acid Pinacol Ester |
| IUPAC Name | 2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | NPUBDPDASOEIOA-UHFFFAOYSA-N |
| Molecular Formula | C8H17BO2 |
2-Chloroaniline-5-sulfonic Acid 98.0+%, TCI America™
CAS: 98-36-2 Molecular Formula: C6H6ClNO3S Molecular Weight (g/mol): 207.63 MDL Number: MFCD00035764 InChI Key: XJQRCFRVWZHIPN-UHFFFAOYSA-N Synonym: 3-Amino-4-chlorobenzenesulfonic Acid PubChem CID: 66817 IUPAC Name: 3-amino-4-chlorobenzene-1-sulfonic acid SMILES: NC1=CC(=CC=C1Cl)S(O)(=O)=O
| PubChem CID | 66817 |
|---|---|
| CAS | 98-36-2 |
| Molecular Weight (g/mol) | 207.63 |
| MDL Number | MFCD00035764 |
| SMILES | NC1=CC(=CC=C1Cl)S(O)(=O)=O |
| Synonym | 3-Amino-4-chlorobenzenesulfonic Acid |
| IUPAC Name | 3-amino-4-chlorobenzene-1-sulfonic acid |
| InChI Key | XJQRCFRVWZHIPN-UHFFFAOYSA-N |
| Molecular Formula | C6H6ClNO3S |
4-Ethoxy-2-methylphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 313545-31-2 Molecular Formula: C9H13BO3 Molecular Weight (g/mol): 180.01 MDL Number: MFCD04115659 InChI Key: MBEQXBKSJCOKJF-UHFFFAOYSA-N PubChem CID: 16217476 IUPAC Name: (4-ethoxy-2-methylphenyl)boronic acid
| PubChem CID | 16217476 |
|---|---|
| CAS | 313545-31-2 |
| Molecular Weight (g/mol) | 180.01 |
| MDL Number | MFCD04115659 |
| IUPAC Name | (4-ethoxy-2-methylphenyl)boronic acid |
| InChI Key | MBEQXBKSJCOKJF-UHFFFAOYSA-N |
| Molecular Formula | C9H13BO3 |
1,3-Diallylurea 98.0+%, TCI America™
CAS: 1801-72-5 Molecular Formula: C7H12N2O Molecular Weight (g/mol): 140.186 MDL Number: MFCD00008639 InChI Key: QRWVOJLTHSRPOA-UHFFFAOYSA-N Synonym: 1,3-diallylurea,n,n'-diallylurea,urea, n,n'-di-2-propenyl,urea, 1,3-diallyl,unii-lxm0xy469i,diallyl urea,lxm0xy469i,urea,n,n'-di-2-propen-1-yl,diallylurea,sinapoline PubChem CID: 74537 IUPAC Name: 1,3-bis(prop-2-enyl)urea SMILES: C=CCNC(=O)NCC=C
| PubChem CID | 74537 |
|---|---|
| CAS | 1801-72-5 |
| Molecular Weight (g/mol) | 140.186 |
| MDL Number | MFCD00008639 |
| SMILES | C=CCNC(=O)NCC=C |
| Synonym | 1,3-diallylurea,n,n'-diallylurea,urea, n,n'-di-2-propenyl,urea, 1,3-diallyl,unii-lxm0xy469i,diallyl urea,lxm0xy469i,urea,n,n'-di-2-propen-1-yl,diallylurea,sinapoline |
| IUPAC Name | 1,3-bis(prop-2-enyl)urea |
| InChI Key | QRWVOJLTHSRPOA-UHFFFAOYSA-N |
| Molecular Formula | C7H12N2O |
3-Acetoxypyridine 98.0+%, TCI America™
CAS: 17747-43-2 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00006377 InChI Key: QZDWODWEESGPLC-UHFFFAOYSA-N Synonym: 3-Pyridyl Acetate PubChem CID: 87289 IUPAC Name: pyridin-3-yl acetate SMILES: CC(=O)OC1=CC=CN=C1
| PubChem CID | 87289 |
|---|---|
| CAS | 17747-43-2 |
| Molecular Weight (g/mol) | 137.14 |
| MDL Number | MFCD00006377 |
| SMILES | CC(=O)OC1=CC=CN=C1 |
| Synonym | 3-Pyridyl Acetate |
| IUPAC Name | pyridin-3-yl acetate |
| InChI Key | QZDWODWEESGPLC-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |