Organic acids and derivatives
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Ethyl Phenylcyanoacetate 95.0+%, TCI America™
CAS: 4553-07-5 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.21 MDL Number: MFCD00001866 InChI Key: SXIRJEDGTAKGKU-UHFFFAOYNA-N Synonym: ethyl phenylcyanoacetate,phenylcyanoacetic acid ethyl ester,ethyl cyanophenylacetate,ethyl cyano phenyl acetate,ethyl alpha-cyanophenylacetate,ethyl alpha-cyano-alpha-phenylacetate,acetic acid, cyanophenyl-, ethyl ester,alpha-cyanobenzeneacetic acid, ethyl ester,benzeneacetic acid, alpha-cyano-, ethyl ester,benzeneacetic acid, .alpha.-cyano-, ethyl ester PubChem CID: 95298 ChEBI: CHEBI:51926 IUPAC Name: ethyl 2-cyano-2-phenylacetate SMILES: CCOC(=O)C(C#N)C1=CC=CC=C1
| PubChem CID | 95298 |
|---|---|
| CAS | 4553-07-5 |
| Molecular Weight (g/mol) | 189.21 |
| ChEBI | CHEBI:51926 |
| MDL Number | MFCD00001866 |
| SMILES | CCOC(=O)C(C#N)C1=CC=CC=C1 |
| Synonym | ethyl phenylcyanoacetate,phenylcyanoacetic acid ethyl ester,ethyl cyanophenylacetate,ethyl cyano phenyl acetate,ethyl alpha-cyanophenylacetate,ethyl alpha-cyano-alpha-phenylacetate,acetic acid, cyanophenyl-, ethyl ester,alpha-cyanobenzeneacetic acid, ethyl ester,benzeneacetic acid, alpha-cyano-, ethyl ester,benzeneacetic acid, .alpha.-cyano-, ethyl ester |
| IUPAC Name | ethyl 2-cyano-2-phenylacetate |
| InChI Key | SXIRJEDGTAKGKU-UHFFFAOYNA-N |
| Molecular Formula | C11H11NO2 |
Propyl Methanesulfonate 98.0+%, TCI America™
CAS: 1912-31-8 Molecular Formula: C4H10O3S Molecular Weight (g/mol): 138.181 MDL Number: MFCD00007561 InChI Key: DKORSYDQYFVQNS-UHFFFAOYSA-N Synonym: Methanesulfonic Acid Propyl Ester PubChem CID: 74705 IUPAC Name: propyl methanesulfonate SMILES: CCCOS(=O)(=O)C
| PubChem CID | 74705 |
|---|---|
| CAS | 1912-31-8 |
| Molecular Weight (g/mol) | 138.181 |
| MDL Number | MFCD00007561 |
| SMILES | CCCOS(=O)(=O)C |
| Synonym | Methanesulfonic Acid Propyl Ester |
| IUPAC Name | propyl methanesulfonate |
| InChI Key | DKORSYDQYFVQNS-UHFFFAOYSA-N |
| Molecular Formula | C4H10O3S |
2,2,3,3,3-Pentafluoropropyl p-Toluenesulfonate 98.0+%, TCI America™
CAS: 565-42-4 Molecular Formula: C10H9F5O3S Molecular Weight (g/mol): 304.23 MDL Number: MFCD02093346 InChI Key: JBHQQXONFHOEQU-UHFFFAOYSA-N Synonym: p-Toluenesulfonic Acid 2,2,3,3,3-Pentafluoropropyl Ester, 2,2,3,3,3-Pentafluoropropyl Tosylate PubChem CID: 2776017 IUPAC Name: 2,2,3,3,3-pentafluoropropyl 4-methylbenzene-1-sulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC(F)(F)C(F)(F)F
| PubChem CID | 2776017 |
|---|---|
| CAS | 565-42-4 |
| Molecular Weight (g/mol) | 304.23 |
| MDL Number | MFCD02093346 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(F)(F)C(F)(F)F |
| Synonym | p-Toluenesulfonic Acid 2,2,3,3,3-Pentafluoropropyl Ester, 2,2,3,3,3-Pentafluoropropyl Tosylate |
| IUPAC Name | 2,2,3,3,3-pentafluoropropyl 4-methylbenzene-1-sulfonate |
| InChI Key | JBHQQXONFHOEQU-UHFFFAOYSA-N |
| Molecular Formula | C10H9F5O3S |
Diethyl 1-Pyrrolidinemethylphosphonate 95.0+%, TCI America™
CAS: 51868-96-3 Molecular Formula: C9H21NO3P Molecular Weight (g/mol): 222.24 MDL Number: MFCD00040516 InChI Key: DOMZGECNJWVKAM-UHFFFAOYSA-O Synonym: 1-Pyrrolidinemethylphosphonic Acid Diethyl Ester PubChem CID: 103998 IUPAC Name: 1-[(diethoxyphosphoryl)methyl]pyrrolidin-1-ium SMILES: CCOP(=O)(C[NH+]1CCCC1)OCC
| PubChem CID | 103998 |
|---|---|
| CAS | 51868-96-3 |
| Molecular Weight (g/mol) | 222.24 |
| MDL Number | MFCD00040516 |
| SMILES | CCOP(=O)(C[NH+]1CCCC1)OCC |
| Synonym | 1-Pyrrolidinemethylphosphonic Acid Diethyl Ester |
| IUPAC Name | 1-[(diethoxyphosphoryl)methyl]pyrrolidin-1-ium |
| InChI Key | DOMZGECNJWVKAM-UHFFFAOYSA-O |
| Molecular Formula | C9H21NO3P |
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 |
Trimethyl Phosphonoacetate 96.0+%, TCI America™
CAS: 5927-18-4 Molecular Formula: C5H11O5P Molecular Weight (g/mol): 182.112 MDL Number: MFCD00008452 InChI Key: SIGOIUCRXKUEIG-UHFFFAOYSA-N Synonym: trimethyl phosphonoacetate,methyl 2-dimethoxyphosphoryl acetate,trimethyl phosphonacetate,trimethylacetyl phosphate,acetic acid, dimethoxyphosphinyl-, methyl ester,methyl-dimethoxyphosphoryl acetat,trimethyl phosphoroacetate,phosphonoacetic acid trimethyl ester,methyl dimethylphosphonoacetate,methyl dimethoxyphosphoryl acetate PubChem CID: 80029 IUPAC Name: methyl 2-dimethoxyphosphorylacetate SMILES: COC(=O)CP(=O)(OC)OC
| PubChem CID | 80029 |
|---|---|
| CAS | 5927-18-4 |
| Molecular Weight (g/mol) | 182.112 |
| MDL Number | MFCD00008452 |
| SMILES | COC(=O)CP(=O)(OC)OC |
| Synonym | trimethyl phosphonoacetate,methyl 2-dimethoxyphosphoryl acetate,trimethyl phosphonacetate,trimethylacetyl phosphate,acetic acid, dimethoxyphosphinyl-, methyl ester,methyl-dimethoxyphosphoryl acetat,trimethyl phosphoroacetate,phosphonoacetic acid trimethyl ester,methyl dimethylphosphonoacetate,methyl dimethoxyphosphoryl acetate |
| IUPAC Name | methyl 2-dimethoxyphosphorylacetate |
| InChI Key | SIGOIUCRXKUEIG-UHFFFAOYSA-N |
| Molecular Formula | C5H11O5P |
Ytterbium(III) Trifluoromethanesulfonate Hydrate 98.0+%, TCI America™
CAS: 54761-04-5 Molecular Formula: C3F9O9S3Yb Molecular Weight (g/mol): 620.244 MDL Number: MFCD03703499 InChI Key: AHZJKOKFZJYCLG-UHFFFAOYSA-K Synonym: ytterbium iii trifluoromethanesulfonate,ytterbium iii triflate,ytterbium triflate,unii-4n70osw24g,ytterbium trifluoromethanesulfonate,yb otf 3,ytterbium 3+ tritriflate,trifluoromethanesulfonate; ytterbium 3+,ytterbium 3+ triflate,ytterbium trifluoromethanesulphonate PubChem CID: 2733225 IUPAC Name: trifluoromethanesulfonate;ytterbium(3+) SMILES: C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Yb+3]
| PubChem CID | 2733225 |
|---|---|
| CAS | 54761-04-5 |
| Molecular Weight (g/mol) | 620.244 |
| MDL Number | MFCD03703499 |
| SMILES | C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Yb+3] |
| Synonym | ytterbium iii trifluoromethanesulfonate,ytterbium iii triflate,ytterbium triflate,unii-4n70osw24g,ytterbium trifluoromethanesulfonate,yb otf 3,ytterbium 3+ tritriflate,trifluoromethanesulfonate; ytterbium 3+,ytterbium 3+ triflate,ytterbium trifluoromethanesulphonate |
| IUPAC Name | trifluoromethanesulfonate;ytterbium(3+) |
| InChI Key | AHZJKOKFZJYCLG-UHFFFAOYSA-K |
| Molecular Formula | C3F9O9S3Yb |
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 |
3-Aminopyrazole-4-carboxamide Hemisulfate 98.0+%, TCI America™
CAS: 27511-79-1 Molecular Formula: C8H14N8O6S Molecular Weight (g/mol): 350.31 MDL Number: MFCD00013093 InChI Key: UMPKASYMNORSRO-UHFFFAOYSA-N Synonym: 3-amino-4-pyrazolecarboxamide hemisulfate,5-aminopyrazole-4-carboxamide hemisulphate,3-amino-1h-pyrazole-4-carboxamide hemisulfate,1h-pyrazole-4-carboxamide, 3-amino-, sulfate 2:1,3-amino-4-pyrazolecarboxamide hemisulfate salt,3-aminopyrazole-4-carboxamide hemisulfate,5-amino-1h-pyrazole-4-carboxamide; sulfuric acid,bis 3-amino-1h-pyrazole-4-carboxamide ; sulfuric acid,bis 3-amino-2h-pyrazole-4-carboxamide ; sulfuric acid,5-amino-1h-pyrazole-4-carboxamide hemisulphate PubChem CID: 2723907 IUPAC Name: 5-amino-1H-pyrazole-4-carboxamide;sulfuric acid SMILES: C1=NNC(=C1C(=O)N)N.C1=NNC(=C1C(=O)N)N.OS(=O)(=O)O
| PubChem CID | 2723907 |
|---|---|
| CAS | 27511-79-1 |
| Molecular Weight (g/mol) | 350.31 |
| MDL Number | MFCD00013093 |
| SMILES | C1=NNC(=C1C(=O)N)N.C1=NNC(=C1C(=O)N)N.OS(=O)(=O)O |
| Synonym | 3-amino-4-pyrazolecarboxamide hemisulfate,5-aminopyrazole-4-carboxamide hemisulphate,3-amino-1h-pyrazole-4-carboxamide hemisulfate,1h-pyrazole-4-carboxamide, 3-amino-, sulfate 2:1,3-amino-4-pyrazolecarboxamide hemisulfate salt,3-aminopyrazole-4-carboxamide hemisulfate,5-amino-1h-pyrazole-4-carboxamide; sulfuric acid,bis 3-amino-1h-pyrazole-4-carboxamide ; sulfuric acid,bis 3-amino-2h-pyrazole-4-carboxamide ; sulfuric acid,5-amino-1h-pyrazole-4-carboxamide hemisulphate |
| IUPAC Name | 5-amino-1H-pyrazole-4-carboxamide;sulfuric acid |
| InChI Key | UMPKASYMNORSRO-UHFFFAOYSA-N |
| Molecular Formula | C8H14N8O6S |
1-Penten-3-yl Acetate 97.0+%, TCI America™
CAS: 10500-11-5 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.171 MDL Number: MFCD02093427 InChI Key: MRLKTTBPWZXARX-UHFFFAOYSA-N Synonym: Acetic Acid 1-Ethylallyl Ester, Acetic Acid 1-Penten-3-yl Ester, 1-Ethylallyl Acetate PubChem CID: 530323 IUPAC Name: pent-1-en-3-yl acetate SMILES: CCC(C=C)OC(=O)C
| PubChem CID | 530323 |
|---|---|
| CAS | 10500-11-5 |
| Molecular Weight (g/mol) | 128.171 |
| MDL Number | MFCD02093427 |
| SMILES | CCC(C=C)OC(=O)C |
| Synonym | Acetic Acid 1-Ethylallyl Ester, Acetic Acid 1-Penten-3-yl Ester, 1-Ethylallyl Acetate |
| IUPAC Name | pent-1-en-3-yl acetate |
| InChI Key | MRLKTTBPWZXARX-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
4-(p-Tolyl)butyric Acid 98.0+%, TCI America™
CAS: 4521-22-6 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00021786 InChI Key: IXWOVMRDYFFXGI-UHFFFAOYSA-N Synonym: 4-p-tolyl butanoic acid,4-p-tolyl butyric acid,4-4-methylphenyl butanoic acid,benzenebutanoic acid, 4-methyl,4-p-tolylbutyric acid,4-para-tolyl-butyric acid,4-4-methylphenyl butyric acid,4-p-tolyl butanoicacid,4-p-tolylbutanoic acid,4-p-tolyl-butyric acid PubChem CID: 78279 IUPAC Name: 4-(4-methylphenyl)butanoic acid SMILES: CC1=CC=C(C=C1)CCCC(=O)O
| PubChem CID | 78279 |
|---|---|
| CAS | 4521-22-6 |
| Molecular Weight (g/mol) | 178.231 |
| MDL Number | MFCD00021786 |
| SMILES | CC1=CC=C(C=C1)CCCC(=O)O |
| Synonym | 4-p-tolyl butanoic acid,4-p-tolyl butyric acid,4-4-methylphenyl butanoic acid,benzenebutanoic acid, 4-methyl,4-p-tolylbutyric acid,4-para-tolyl-butyric acid,4-4-methylphenyl butyric acid,4-p-tolyl butanoicacid,4-p-tolylbutanoic acid,4-p-tolyl-butyric acid |
| IUPAC Name | 4-(4-methylphenyl)butanoic acid |
| InChI Key | IXWOVMRDYFFXGI-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
2,2,2-Trifluoroethyl Trifluoroacetate 96.0+%, TCI America™
CAS: 407-38-5 Molecular Formula: C4H2F6O2 Molecular Weight (g/mol): 196.05 MDL Number: MFCD00000418 InChI Key: ZKUJOCJJXCPCFS-UHFFFAOYSA-N Synonym: 2,2,2-trifluoroethyl trifluoroacetate,acetic acid, trifluoro-, 2,2,2-trifluoroethyl ester,trifluoroacetic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyltrifluoroacetate,pubchem12623,acmc-1ake7,cf3co2ch2cf3,cf3c o och2cf3,ksc496e0r,trifluoroethyl trifluoroacetate PubChem CID: 67888 IUPAC Name: 2,2,2-trifluoroethyl 2,2,2-trifluoroacetate SMILES: FC(F)(F)COC(=O)C(F)(F)F
| PubChem CID | 67888 |
|---|---|
| CAS | 407-38-5 |
| Molecular Weight (g/mol) | 196.05 |
| MDL Number | MFCD00000418 |
| SMILES | FC(F)(F)COC(=O)C(F)(F)F |
| Synonym | 2,2,2-trifluoroethyl trifluoroacetate,acetic acid, trifluoro-, 2,2,2-trifluoroethyl ester,trifluoroacetic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyltrifluoroacetate,pubchem12623,acmc-1ake7,cf3co2ch2cf3,cf3c o och2cf3,ksc496e0r,trifluoroethyl trifluoroacetate |
| IUPAC Name | 2,2,2-trifluoroethyl 2,2,2-trifluoroacetate |
| InChI Key | ZKUJOCJJXCPCFS-UHFFFAOYSA-N |
| Molecular Formula | C4H2F6O2 |
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene 98.0+%, TCI America™
CAS: 193978-23-3 Molecular Formula: C10H15BO2S Molecular Weight (g/mol): 210.098 MDL Number: MFCD05663878 InChI Key: FFZHICFAHSDFKZ-UHFFFAOYSA-N Synonym: 2-thiopheneboronic acid pinacol ester,4,4,5,5-tetramethyl-2-thiophen-2-yl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-2-thienyl-1,3,2-dioxaborolane,thiophene-2-boronic acid pinacol ester,2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl thiophene,thiophene-2-boronic acid, pinacol ester,1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-2-thienyl,4,4,5,5-tetramethyl-2-thien-2-yl-1,3,2-dioxaborolane,pubchem18441 PubChem CID: 10703628 IUPAC Name: 4,4,5,5-tetramethyl-2-thiophen-2-yl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CS2
| PubChem CID | 10703628 |
|---|---|
| CAS | 193978-23-3 |
| Molecular Weight (g/mol) | 210.098 |
| MDL Number | MFCD05663878 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=CS2 |
| Synonym | 2-thiopheneboronic acid pinacol ester,4,4,5,5-tetramethyl-2-thiophen-2-yl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-2-thienyl-1,3,2-dioxaborolane,thiophene-2-boronic acid pinacol ester,2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl thiophene,thiophene-2-boronic acid, pinacol ester,1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-2-thienyl,4,4,5,5-tetramethyl-2-thien-2-yl-1,3,2-dioxaborolane,pubchem18441 |
| IUPAC Name | 4,4,5,5-tetramethyl-2-thiophen-2-yl-1,3,2-dioxaborolane |
| InChI Key | FFZHICFAHSDFKZ-UHFFFAOYSA-N |
| Molecular Formula | C10H15BO2S |
1-(Trimethylsilyl)-2-naphthyl Trifluoromethanesulfonate 96.0+%, TCI America™
CAS: 252054-88-9 Molecular Formula: C14H15F3O3SSi Molecular Weight (g/mol): 348.411 InChI Key: DHFMFICBVHCWGQ-UHFFFAOYSA-N Synonym: 1-(Trimethylsilyl)-2-naphthyl Triflate, Trifluoromethanesulfonic Acid 1-(Trimethylsilyl)-2-naphthyl Ester PubChem CID: 11078565 IUPAC Name: (1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate SMILES: C[Si](C)(C)C1=C(C=CC2=CC=CC=C21)OS(=O)(=O)C(F)(F)F
| PubChem CID | 11078565 |
|---|---|
| CAS | 252054-88-9 |
| Molecular Weight (g/mol) | 348.411 |
| SMILES | C[Si](C)(C)C1=C(C=CC2=CC=CC=C21)OS(=O)(=O)C(F)(F)F |
| Synonym | 1-(Trimethylsilyl)-2-naphthyl Triflate, Trifluoromethanesulfonic Acid 1-(Trimethylsilyl)-2-naphthyl Ester |
| IUPAC Name | (1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate |
| InChI Key | DHFMFICBVHCWGQ-UHFFFAOYSA-N |
| Molecular Formula | C14H15F3O3SSi |