Organic acids and derivatives
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1,1,1,3,3,3-Hexafluoroisopropyl p-Toluenesulfonate 98.0+%, TCI America™
CAS: 67674-48-0 Molecular Formula: C10H8F6O3S Molecular Weight (g/mol): 322.22 MDL Number: MFCD00039262 InChI Key: QGSVBFAODCJVIZ-UHFFFAOYSA-N Synonym: 1,1,1,3,3,3-hexafluoroisopropyl p-toluenesulfonate,2-propanol, 1,1,1,3,3,3-hexafluoro-, 4-methylbenzenesulfonate,2-propanol, 1,1,1,3,3,3-hexafluoro-, 2-4-methylbenzenesulfonate,1,1,1,3,3,3-hexafluoroisopropyl 4-toluenesulphonate,2,2,2-trifluoro-1-trifluoromethyl ethyl toluene-p-sulphonate,hexafluoroisopropyl 4-toluenesulfonate,1,1,1,3,3,3-hexafluoroisopropyl tosylate,1,1,1,3,3,3-hexafluoroisopropyl-4-toluensesulfonate,2-propanol,1,1,3,3,3-hexafluoro-, 4-methylbenzenesulfonate,p-toluenesulfonic acid 1,1,1,3,3,3-hexafluoroisopropyl ester PubChem CID: 98916 IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methylbenzene-1-sulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC(C(F)(F)F)C(F)(F)F
| PubChem CID | 98916 |
|---|---|
| CAS | 67674-48-0 |
| Molecular Weight (g/mol) | 322.22 |
| MDL Number | MFCD00039262 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC(C(F)(F)F)C(F)(F)F |
| Synonym | 1,1,1,3,3,3-hexafluoroisopropyl p-toluenesulfonate,2-propanol, 1,1,1,3,3,3-hexafluoro-, 4-methylbenzenesulfonate,2-propanol, 1,1,1,3,3,3-hexafluoro-, 2-4-methylbenzenesulfonate,1,1,1,3,3,3-hexafluoroisopropyl 4-toluenesulphonate,2,2,2-trifluoro-1-trifluoromethyl ethyl toluene-p-sulphonate,hexafluoroisopropyl 4-toluenesulfonate,1,1,1,3,3,3-hexafluoroisopropyl tosylate,1,1,1,3,3,3-hexafluoroisopropyl-4-toluensesulfonate,2-propanol,1,1,3,3,3-hexafluoro-, 4-methylbenzenesulfonate,p-toluenesulfonic acid 1,1,1,3,3,3-hexafluoroisopropyl ester |
| IUPAC Name | 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methylbenzene-1-sulfonate |
| InChI Key | QGSVBFAODCJVIZ-UHFFFAOYSA-N |
| Molecular Formula | C10H8F6O3S |
Phenyl 2,3,4,6-Tetra-O-acetyl-1-thio-alpha-D-mannopyranoside 98.0+%, TCI America™
CAS: 108032-93-5 Molecular Formula: C20H24O9S Molecular Weight (g/mol): 440.463 MDL Number: MFCD01862644 InChI Key: JCKOUAWEMPKIAT-SWBPCFCJSA-N PubChem CID: 10993883 IUPAC Name: [(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-phenylsulfanyloxan-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C(C(O1)SC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C
| PubChem CID | 10993883 |
|---|---|
| CAS | 108032-93-5 |
| Molecular Weight (g/mol) | 440.463 |
| MDL Number | MFCD01862644 |
| SMILES | CC(=O)OCC1C(C(C(C(O1)SC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C |
| IUPAC Name | [(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-phenylsulfanyloxan-2-yl]methyl acetate |
| InChI Key | JCKOUAWEMPKIAT-SWBPCFCJSA-N |
| Molecular Formula | C20H24O9S |
Nicorandil 98.0+%, TCI America™
CAS: 65141-46-0 Molecular Formula: C8H9N3O4 Molecular Weight (g/mol): 211.18 MDL Number: MFCD00186520 InChI Key: LBHIOVVIQHSOQN-UHFFFAOYSA-N Synonym: nicorandil,ikorel,2-nicotinamidoethyl nitrate,adancor,dancor,nicorandilum,sigmart,2-pyridine-3-carbonylamino ethyl nitrate,n-2-hydroxyethyl nicotinamide nitrate,nicorandilum inn-latin PubChem CID: 47528 ChEBI: CHEBI:31905 IUPAC Name: 2-[(pyridin-3-yl)formamido]ethyl nitrate SMILES: [O-][N+](=O)OCCNC(=O)C1=CC=CN=C1
| PubChem CID | 47528 |
|---|---|
| CAS | 65141-46-0 |
| Molecular Weight (g/mol) | 211.18 |
| ChEBI | CHEBI:31905 |
| MDL Number | MFCD00186520 |
| SMILES | [O-][N+](=O)OCCNC(=O)C1=CC=CN=C1 |
| Synonym | nicorandil,ikorel,2-nicotinamidoethyl nitrate,adancor,dancor,nicorandilum,sigmart,2-pyridine-3-carbonylamino ethyl nitrate,n-2-hydroxyethyl nicotinamide nitrate,nicorandilum inn-latin |
| IUPAC Name | 2-[(pyridin-3-yl)formamido]ethyl nitrate |
| InChI Key | LBHIOVVIQHSOQN-UHFFFAOYSA-N |
| Molecular Formula | C8H9N3O4 |
Sodium Trifluoromethanesulfonate 98.0+%, TCI America™
CAS: 2926-30-9 Molecular Formula: CF3NaO3S Molecular Weight (g/mol): 172.053 MDL Number: MFCD00061607 InChI Key: XGPOMXSYOKFBHS-UHFFFAOYSA-M Synonym: sodium trifluoromethanesulfonate,sodium triflate,trifluoromethanesulfonic acid sodium salt,sodium trifluoro methane sulfonate,methanesulfonic acid, trifluoro-, sodium salt,pubchem23598,cf3so3na,acmc-1cfau,sodiumtrifluoromethanesulfonate,ksc491a1d PubChem CID: 23676748 IUPAC Name: sodium;trifluoromethanesulfonate SMILES: C(F)(F)(F)S(=O)(=O)[O-].[Na+]
| PubChem CID | 23676748 |
|---|---|
| CAS | 2926-30-9 |
| Molecular Weight (g/mol) | 172.053 |
| MDL Number | MFCD00061607 |
| SMILES | C(F)(F)(F)S(=O)(=O)[O-].[Na+] |
| Synonym | sodium trifluoromethanesulfonate,sodium triflate,trifluoromethanesulfonic acid sodium salt,sodium trifluoro methane sulfonate,methanesulfonic acid, trifluoro-, sodium salt,pubchem23598,cf3so3na,acmc-1cfau,sodiumtrifluoromethanesulfonate,ksc491a1d |
| IUPAC Name | sodium;trifluoromethanesulfonate |
| InChI Key | XGPOMXSYOKFBHS-UHFFFAOYSA-M |
| Molecular Formula | CF3NaO3S |
Tri-O-acetyl-D-galactal 95.0+%, TCI America™
CAS: 4098-06-0 Molecular Formula: C12H16O7 Molecular Weight (g/mol): 272.25 MDL Number: MFCD00064092 InChI Key: LLPWGHLVUPBSLP-UHFFFAOYNA-N Synonym: 3,4,6-tri-o-acetyl-d-galactal,tri-o-acetyl-d-galactal,2r,3r,4r-2-acetoxymethyl-3,4-dihydro-2h-pyran-3,4-diyl diacetate,d-arabino-hex-5-enitol, 2,6-anhydro-5-deoxy-, triacetate,1,3,4-tri-o-acetyl-2,6-anhydro-5-deoxyhex-5-enitol,d-galactal triacetate,2,6-anhydro-5-deoxy-d-arabino-hex-5-enitol triacetate,2r,3r,4r-3,4-bis acetyloxy-3,4-dihydro-2h-pyran-2-yl methyl acetate,galactal triacetate,tri-o-acetylgalactal PubChem CID: 640125 IUPAC Name: [3,4-bis(acetyloxy)-3,4-dihydro-2H-pyran-2-yl]methyl acetate SMILES: CC(=O)OCC1OC=CC(OC(C)=O)C1OC(C)=O
| PubChem CID | 640125 |
|---|---|
| CAS | 4098-06-0 |
| Molecular Weight (g/mol) | 272.25 |
| MDL Number | MFCD00064092 |
| SMILES | CC(=O)OCC1OC=CC(OC(C)=O)C1OC(C)=O |
| Synonym | 3,4,6-tri-o-acetyl-d-galactal,tri-o-acetyl-d-galactal,2r,3r,4r-2-acetoxymethyl-3,4-dihydro-2h-pyran-3,4-diyl diacetate,d-arabino-hex-5-enitol, 2,6-anhydro-5-deoxy-, triacetate,1,3,4-tri-o-acetyl-2,6-anhydro-5-deoxyhex-5-enitol,d-galactal triacetate,2,6-anhydro-5-deoxy-d-arabino-hex-5-enitol triacetate,2r,3r,4r-3,4-bis acetyloxy-3,4-dihydro-2h-pyran-2-yl methyl acetate,galactal triacetate,tri-o-acetylgalactal |
| IUPAC Name | [3,4-bis(acetyloxy)-3,4-dihydro-2H-pyran-2-yl]methyl acetate |
| InChI Key | LLPWGHLVUPBSLP-UHFFFAOYNA-N |
| Molecular Formula | C12H16O7 |
Vinyl n-Octanoate (stabilized with MEHQ) 99.0+%, TCI America™
CAS: 818-44-0 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.252 MDL Number: MFCD00048915 InChI Key: QBDADGJLZNIRFQ-UHFFFAOYSA-N Synonym: n-Octanoic Acid Vinyl Ester PubChem CID: 13164 IUPAC Name: ethenyl octanoate SMILES: CCCCCCCC(=O)OC=C
| PubChem CID | 13164 |
|---|---|
| CAS | 818-44-0 |
| Molecular Weight (g/mol) | 170.252 |
| MDL Number | MFCD00048915 |
| SMILES | CCCCCCCC(=O)OC=C |
| Synonym | n-Octanoic Acid Vinyl Ester |
| IUPAC Name | ethenyl octanoate |
| InChI Key | QBDADGJLZNIRFQ-UHFFFAOYSA-N |
| Molecular Formula | C10H18O2 |
Methyl 4-Methylcinnamate 98.0+%, TCI America™
CAS: 7560-43-2 Molecular Formula: C11H12O2 Molecular Weight (g/mol): 176.215 MDL Number: MFCD00460746 InChI Key: WLJBRXRCJNSDHT-UHFFFAOYSA-N Synonym: 4-Methylcinnamic Acid Methyl Ester PubChem CID: 589472 IUPAC Name: methyl 3-(4-methylphenyl)prop-2-enoate SMILES: CC1=CC=C(C=C1)C=CC(=O)OC
| PubChem CID | 589472 |
|---|---|
| CAS | 7560-43-2 |
| Molecular Weight (g/mol) | 176.215 |
| MDL Number | MFCD00460746 |
| SMILES | CC1=CC=C(C=C1)C=CC(=O)OC |
| Synonym | 4-Methylcinnamic Acid Methyl Ester |
| IUPAC Name | methyl 3-(4-methylphenyl)prop-2-enoate |
| InChI Key | WLJBRXRCJNSDHT-UHFFFAOYSA-N |
| Molecular Formula | C11H12O2 |
1,1-Ethanediol Diacetate 98.0+%, TCI America™
CAS: 542-10-9 Molecular Formula: C6H10O4 Molecular Weight (g/mol): 146.142 MDL Number: MFCD00014980 InChI Key: ACKALUBLCWJVNB-UHFFFAOYSA-N Synonym: ethylidene diacetate,1,1-diacetoxyethane,1,1-ethanediol diacetate,1,1-ethanediol, diacetate,ethylidene acetate,ethane-1,1-diyl diacetate,polyoxymethylenes,delrin,unii-kl1s8v6w25,1-acetoxyethyl acetate PubChem CID: 222536 IUPAC Name: 1-acetyloxyethyl acetate SMILES: CC(OC(=O)C)OC(=O)C
| PubChem CID | 222536 |
|---|---|
| CAS | 542-10-9 |
| Molecular Weight (g/mol) | 146.142 |
| MDL Number | MFCD00014980 |
| SMILES | CC(OC(=O)C)OC(=O)C |
| Synonym | ethylidene diacetate,1,1-diacetoxyethane,1,1-ethanediol diacetate,1,1-ethanediol, diacetate,ethylidene acetate,ethane-1,1-diyl diacetate,polyoxymethylenes,delrin,unii-kl1s8v6w25,1-acetoxyethyl acetate |
| IUPAC Name | 1-acetyloxyethyl acetate |
| InChI Key | ACKALUBLCWJVNB-UHFFFAOYSA-N |
| Molecular Formula | C6H10O4 |
Pentabromobenzyl Acrylate 98.0+%, TCI America™
CAS: 59447-55-1 Molecular Formula: C10H5Br5O2 Molecular Weight (g/mol): 556.668 MDL Number: MFCD00804467 InChI Key: GRKDVZMVHOLESV-UHFFFAOYSA-N Synonym: Acrylic Acid Pentabromobenzyl Ester PubChem CID: 101059 IUPAC Name: (2,3,4,5,6-pentabromophenyl)methyl prop-2-enoate SMILES: C=CC(=O)OCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br
| PubChem CID | 101059 |
|---|---|
| CAS | 59447-55-1 |
| Molecular Weight (g/mol) | 556.668 |
| MDL Number | MFCD00804467 |
| SMILES | C=CC(=O)OCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br |
| Synonym | Acrylic Acid Pentabromobenzyl Ester |
| IUPAC Name | (2,3,4,5,6-pentabromophenyl)methyl prop-2-enoate |
| InChI Key | GRKDVZMVHOLESV-UHFFFAOYSA-N |
| Molecular Formula | C10H5Br5O2 |
Hexyl Hexanoate 98.0+%, TCI America™
CAS: 6378-65-0 Molecular Formula: C12H24O2 Molecular Weight (g/mol): 200.32 MDL Number: MFCD00053808 InChI Key: NCDCLPBOMHPFCV-UHFFFAOYSA-N Synonym: Hexanoic Acid Hexyl Ester PubChem CID: 22873 IUPAC Name: hexyl hexanoate SMILES: CCCCCCOC(=O)CCCCC
| PubChem CID | 22873 |
|---|---|
| CAS | 6378-65-0 |
| Molecular Weight (g/mol) | 200.32 |
| MDL Number | MFCD00053808 |
| SMILES | CCCCCCOC(=O)CCCCC |
| Synonym | Hexanoic Acid Hexyl Ester |
| IUPAC Name | hexyl hexanoate |
| InChI Key | NCDCLPBOMHPFCV-UHFFFAOYSA-N |
| Molecular Formula | C12H24O2 |
3-Pyridyl Trifluoromethanesulfonate 98.0+%, TCI America™
CAS: 107658-27-5 Molecular Formula: C6H4F3NO3S Molecular Weight (g/mol): 227.157 MDL Number: MFCD00799579 InChI Key: ZRNDSLLIAOLRJS-UHFFFAOYSA-N Synonym: Trifluoromethanesulfonic Acid 3-Pyridyl Ester, 3-Pyridyl Triflate PubChem CID: 11031579 IUPAC Name: pyridin-3-yl trifluoromethanesulfonate SMILES: C1=CC(=CN=C1)OS(=O)(=O)C(F)(F)F
| PubChem CID | 11031579 |
|---|---|
| CAS | 107658-27-5 |
| Molecular Weight (g/mol) | 227.157 |
| MDL Number | MFCD00799579 |
| SMILES | C1=CC(=CN=C1)OS(=O)(=O)C(F)(F)F |
| Synonym | Trifluoromethanesulfonic Acid 3-Pyridyl Ester, 3-Pyridyl Triflate |
| IUPAC Name | pyridin-3-yl trifluoromethanesulfonate |
| InChI Key | ZRNDSLLIAOLRJS-UHFFFAOYSA-N |
| Molecular Formula | C6H4F3NO3S |
Ethyl Nonanoate 95.0+%, TCI America™
CAS: 123-29-5 Molecular Formula: C11H22O2 Molecular Weight (g/mol): 186.30 MDL Number: MFCD00009570 InChI Key: BYEVBITUADOIGY-UHFFFAOYSA-N Synonym: ethyl pelargonate,nonanoic acid, ethyl ester,ethyl nonylate,wine ether,nonanoic acid ethyl ester,natural,ethyl n-nonanoate,unii-ksh683s98j,fema no. 2447,pelargonic acid ethyl ester PubChem CID: 31251 ChEBI: CHEBI:87501 IUPAC Name: ethyl nonanoate SMILES: CCCCCCCCC(=O)OCC
| PubChem CID | 31251 |
|---|---|
| CAS | 123-29-5 |
| Molecular Weight (g/mol) | 186.30 |
| ChEBI | CHEBI:87501 |
| MDL Number | MFCD00009570 |
| SMILES | CCCCCCCCC(=O)OCC |
| Synonym | ethyl pelargonate,nonanoic acid, ethyl ester,ethyl nonylate,wine ether,nonanoic acid ethyl ester,natural,ethyl n-nonanoate,unii-ksh683s98j,fema no. 2447,pelargonic acid ethyl ester |
| IUPAC Name | ethyl nonanoate |
| InChI Key | BYEVBITUADOIGY-UHFFFAOYSA-N |
| Molecular Formula | C11H22O2 |
Propyl Cyanoacetate 99.0+%, TCI America™
CAS: 14447-15-5 Molecular Formula: C6H9NO2 Molecular Weight (g/mol): 127.14 MDL Number: MFCD00015784 InChI Key: NLFIMXLLXGTDME-UHFFFAOYSA-N Synonym: Cyanoacetic Acid Propyl Ester PubChem CID: 84444 IUPAC Name: propyl 2-cyanoacetate SMILES: CCCOC(=O)CC#N
| PubChem CID | 84444 |
|---|---|
| CAS | 14447-15-5 |
| Molecular Weight (g/mol) | 127.14 |
| MDL Number | MFCD00015784 |
| SMILES | CCCOC(=O)CC#N |
| Synonym | Cyanoacetic Acid Propyl Ester |
| IUPAC Name | propyl 2-cyanoacetate |
| InChI Key | NLFIMXLLXGTDME-UHFFFAOYSA-N |
| Molecular Formula | C6H9NO2 |
4-Hexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene 98.0+%, TCI America™
CAS: 883742-29-8 Molecular Formula: C16H27BO2S Molecular Weight (g/mol): 294.26 MDL Number: MFCD14708172 InChI Key: QEFQFMZHWUCJOA-UHFFFAOYSA-N Synonym: 2-(4-Hexyl-2-thienyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 4-Hexyl-2-thiopheneboronic Acid Pinacol Ester PubChem CID: 44630029 IUPAC Name: 2-(4-hexylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: CCCCCCC1=CSC(=C1)B1OC(C)(C)C(C)(C)O1
| PubChem CID | 44630029 |
|---|---|
| CAS | 883742-29-8 |
| Molecular Weight (g/mol) | 294.26 |
| MDL Number | MFCD14708172 |
| SMILES | CCCCCCC1=CSC(=C1)B1OC(C)(C)C(C)(C)O1 |
| Synonym | 2-(4-Hexyl-2-thienyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 4-Hexyl-2-thiopheneboronic Acid Pinacol Ester |
| IUPAC Name | 2-(4-hexylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | QEFQFMZHWUCJOA-UHFFFAOYSA-N |
| Molecular Formula | C16H27BO2S |
Pyrazole-3-carboxylic Acid 98.0+%, TCI America™
CAS: 1621-91-6 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.09 MDL Number: MFCD00077436 InChI Key: KOPFEFZSAMLEHK-UHFFFAOYSA-N Synonym: 1h-pyrazole-3-carboxylic acid,pyrazole-3-carboxylic acid,2h-pyrazole-3-carboxylic acid,5-pyrazolecarboxylic acid,3-pyrazolecarboxylic acid,3-carboxy-1h-pyrazole,pyrazolic acid,pyrazolecarboxylic,3-carboxypyrazole,2h-pyrazole-3-carboxylicacid PubChem CID: 574310 IUPAC Name: 1H-pyrazole-5-carboxylic acid SMILES: OC(=O)C1=CC=NN1
| PubChem CID | 574310 |
|---|---|
| CAS | 1621-91-6 |
| Molecular Weight (g/mol) | 112.09 |
| MDL Number | MFCD00077436 |
| SMILES | OC(=O)C1=CC=NN1 |
| Synonym | 1h-pyrazole-3-carboxylic acid,pyrazole-3-carboxylic acid,2h-pyrazole-3-carboxylic acid,5-pyrazolecarboxylic acid,3-pyrazolecarboxylic acid,3-carboxy-1h-pyrazole,pyrazolic acid,pyrazolecarboxylic,3-carboxypyrazole,2h-pyrazole-3-carboxylicacid |
| IUPAC Name | 1H-pyrazole-5-carboxylic acid |
| InChI Key | KOPFEFZSAMLEHK-UHFFFAOYSA-N |
| Molecular Formula | C4H4N2O2 |