Organic acids and derivatives
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Isopropyl Trifluoroacetate 98.0+%, TCI America™
CAS: 400-38-4 Molecular Formula: C5H7F3O2 Molecular Weight (g/mol): 156.10 MDL Number: MFCD00013566 InChI Key: ASAXRKSDVDALDT-UHFFFAOYSA-N Synonym: isopropyl trifluoroacetate,isopropyltrifluoroacetate,isopropyl 2,2,2-trifluoroacetate,acetic acid, trifluoro-, 1-methylethyl ester,iso-propyl trifluoroacetate,trifluoroacetic acid isopropyl ester,pubchem12590,acmc-1ctsh,methylethyl 2,2,2-trifluoroacetate PubChem CID: 78998 IUPAC Name: propan-2-yl 2,2,2-trifluoroacetate SMILES: CC(C)OC(=O)C(F)(F)F
| PubChem CID | 78998 |
|---|---|
| CAS | 400-38-4 |
| Molecular Weight (g/mol) | 156.10 |
| MDL Number | MFCD00013566 |
| SMILES | CC(C)OC(=O)C(F)(F)F |
| Synonym | isopropyl trifluoroacetate,isopropyltrifluoroacetate,isopropyl 2,2,2-trifluoroacetate,acetic acid, trifluoro-, 1-methylethyl ester,iso-propyl trifluoroacetate,trifluoroacetic acid isopropyl ester,pubchem12590,acmc-1ctsh,methylethyl 2,2,2-trifluoroacetate |
| IUPAC Name | propan-2-yl 2,2,2-trifluoroacetate |
| InChI Key | ASAXRKSDVDALDT-UHFFFAOYSA-N |
| Molecular Formula | C5H7F3O2 |
N-Carbobenzoxy-D-threonine 98.0+%, TCI America™
CAS: 80384-27-6 Molecular Formula: C12H15NO5 Molecular Weight (g/mol): 253.25 MDL Number: MFCD00037808 InChI Key: IPJUIRDNBFZGQN-WCBMZHEXSA-N Synonym: z-d-thr-oh,z-d-threonine,n-carbobenzoxy-d-threonine,2r,3s-2-benzyloxy carbonyl amino-3-hydroxybutanoic acid,n-benzyloxycarbonyl-d-threonine,n-cbz-d-threonine,d-threonine, n-phenylmethoxy carbonyl,2r,3s-3-hydroxy-2-phenylmethoxycarbonylamino butanoic acid,cbz-d-thr-oh PubChem CID: 853484 IUPAC Name: (2R,3S)-2-{[(benzyloxy)carbonyl]amino}-3-hydroxybutanoic acid SMILES: C[C@H](O)[C@@H](NC(=O)OCC1=CC=CC=C1)C(O)=O
| PubChem CID | 853484 |
|---|---|
| CAS | 80384-27-6 |
| Molecular Weight (g/mol) | 253.25 |
| MDL Number | MFCD00037808 |
| SMILES | C[C@H](O)[C@@H](NC(=O)OCC1=CC=CC=C1)C(O)=O |
| Synonym | z-d-thr-oh,z-d-threonine,n-carbobenzoxy-d-threonine,2r,3s-2-benzyloxy carbonyl amino-3-hydroxybutanoic acid,n-benzyloxycarbonyl-d-threonine,n-cbz-d-threonine,d-threonine, n-phenylmethoxy carbonyl,2r,3s-3-hydroxy-2-phenylmethoxycarbonylamino butanoic acid,cbz-d-thr-oh |
| IUPAC Name | (2R,3S)-2-{[(benzyloxy)carbonyl]amino}-3-hydroxybutanoic acid |
| InChI Key | IPJUIRDNBFZGQN-WCBMZHEXSA-N |
| Molecular Formula | C12H15NO5 |
O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium Hexafluorophosphate 98.0+%, TCI America™
CAS: 105379-24-6 Molecular Formula: C15H20F6N5OP Molecular Weight (g/mol): 431.323 MDL Number: MFCD00191770 InChI Key: XKTRAGMCMJYRRN-UHFFFAOYSA-N Synonym: hbpyu,benzotriazol-1-yloxy dipyrrolidinocarbenium hexafluorophosphate,1h-benzo d 1,2,3 triazol-1-yl di pyrrolidin-1-yl methylene oxonium hexafluorophosphate v,o-benzotriazol-1-yl-n,n,n',n'-bis tetramethylene uronium hexafluorophosphate,hbpyu, o-benzotriazol-1-yl-n,n,n',n'-bis tetramethylene uronium hexafluorophosphate,1-pyrrolidin-1-ium-1-ylidene pyrrolidin-1-yl methoxy benzotriazole hexafluorophosphate,1-1,2,3-benzotriazol-1-yloxy pyrrolidin-1-yl methylidene-1??-pyrrolidin-1-ylium hexafluorophosphate,benzotriazol-1-yloxy dipyrrolidinocarbenium hexaf,1,2,3-benzotriazol-1-yloxy bis pyrrolidin-1-yl methylium hexafluorophosphate,1-1-pyrrolidin-1-iumylidene 1-pyrrolidinyl methoxy benzotriazole hexafluorophosphate PubChem CID: 13685355 IUPAC Name: 1-[pyrrolidin-1-ium-1-ylidene(pyrrolidin-1-yl)methoxy]benzotriazole;hexafluorophosphate SMILES: C1CCN(C1)C(=[N+]2CCCC2)ON3C4=CC=CC=C4N=N3.F[P-](F)(F)(F)(F)F
| PubChem CID | 13685355 |
|---|---|
| CAS | 105379-24-6 |
| Molecular Weight (g/mol) | 431.323 |
| MDL Number | MFCD00191770 |
| SMILES | C1CCN(C1)C(=[N+]2CCCC2)ON3C4=CC=CC=C4N=N3.F[P-](F)(F)(F)(F)F |
| Synonym | hbpyu,benzotriazol-1-yloxy dipyrrolidinocarbenium hexafluorophosphate,1h-benzo d 1,2,3 triazol-1-yl di pyrrolidin-1-yl methylene oxonium hexafluorophosphate v,o-benzotriazol-1-yl-n,n,n',n'-bis tetramethylene uronium hexafluorophosphate,hbpyu, o-benzotriazol-1-yl-n,n,n',n'-bis tetramethylene uronium hexafluorophosphate,1-pyrrolidin-1-ium-1-ylidene pyrrolidin-1-yl methoxy benzotriazole hexafluorophosphate,1-1,2,3-benzotriazol-1-yloxy pyrrolidin-1-yl methylidene-1??-pyrrolidin-1-ylium hexafluorophosphate,benzotriazol-1-yloxy dipyrrolidinocarbenium hexaf,1,2,3-benzotriazol-1-yloxy bis pyrrolidin-1-yl methylium hexafluorophosphate,1-1-pyrrolidin-1-iumylidene 1-pyrrolidinyl methoxy benzotriazole hexafluorophosphate |
| IUPAC Name | 1-[pyrrolidin-1-ium-1-ylidene(pyrrolidin-1-yl)methoxy]benzotriazole;hexafluorophosphate |
| InChI Key | XKTRAGMCMJYRRN-UHFFFAOYSA-N |
| Molecular Formula | C15H20F6N5OP |
5-Bromonicotinamide 98.0+%, TCI America™
CAS: 28733-43-9 Molecular Formula: C6H5BrN2O Molecular Weight (g/mol): 201.023 MDL Number: MFCD00173919 InChI Key: YOQRXZIMSKLRCY-UHFFFAOYSA-N Synonym: 5-bromonicotinamide,5-bromo-3-pyridinecarboxamide,nicotinamide, 5-bromo,3-pyridinecarboxamide, 5-bromo,5-bromo-nicotinamide,brt,pubchem1212,acmc-1cfs0,3-bromo-5-carbamoylpyridine,5-22-02-00182 beilstein handbook reference PubChem CID: 1808 IUPAC Name: 5-bromopyridine-3-carboxamide SMILES: C1=C(C=NC=C1Br)C(=O)N
| PubChem CID | 1808 |
|---|---|
| CAS | 28733-43-9 |
| Molecular Weight (g/mol) | 201.023 |
| MDL Number | MFCD00173919 |
| SMILES | C1=C(C=NC=C1Br)C(=O)N |
| Synonym | 5-bromonicotinamide,5-bromo-3-pyridinecarboxamide,nicotinamide, 5-bromo,3-pyridinecarboxamide, 5-bromo,5-bromo-nicotinamide,brt,pubchem1212,acmc-1cfs0,3-bromo-5-carbamoylpyridine,5-22-02-00182 beilstein handbook reference |
| IUPAC Name | 5-bromopyridine-3-carboxamide |
| InChI Key | YOQRXZIMSKLRCY-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrN2O |
Methyl (Methylthio)acetate 99.0+%, TCI America™
CAS: 16630-66-3 Molecular Formula: C4H8O2S Molecular Weight (g/mol): 120.166 MDL Number: MFCD00039809 InChI Key: HZYCAKGEXXKCDM-UHFFFAOYSA-N Synonym: methyl methylthio acetate,methyl 2-methylthio acetate,methyl 2-methylsulfanyl acetate,acetic acid, methylthio-, methyl ester,methyl methylithio acetate,unii-gn58c28ml9,methyl methylthioacetate,acmc-1c4wc,methyl 3-methylthio acetate PubChem CID: 85522 IUPAC Name: methyl 2-methylsulfanylacetate SMILES: COC(=O)CSC
| PubChem CID | 85522 |
|---|---|
| CAS | 16630-66-3 |
| Molecular Weight (g/mol) | 120.166 |
| MDL Number | MFCD00039809 |
| SMILES | COC(=O)CSC |
| Synonym | methyl methylthio acetate,methyl 2-methylthio acetate,methyl 2-methylsulfanyl acetate,acetic acid, methylthio-, methyl ester,methyl methylithio acetate,unii-gn58c28ml9,methyl methylthioacetate,acmc-1c4wc,methyl 3-methylthio acetate |
| IUPAC Name | methyl 2-methylsulfanylacetate |
| InChI Key | HZYCAKGEXXKCDM-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2S |
2,6-Difluoro-3-methoxyphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 870779-02-5 Molecular Formula: C7H7BF2O3 MDL Number: MFCD06657880 InChI Key: WSRQWTCBDHWVGY-UHFFFAOYSA-N Synonym: 2,6-Difluoro-3-methoxybenzeneboronic Acid PubChem CID: 2783131 IUPAC Name: (2,6-difluoro-3-methoxyphenyl)boronic acid
| PubChem CID | 2783131 |
|---|---|
| CAS | 870779-02-5 |
| MDL Number | MFCD06657880 |
| Synonym | 2,6-Difluoro-3-methoxybenzeneboronic Acid |
| IUPAC Name | (2,6-difluoro-3-methoxyphenyl)boronic acid |
| InChI Key | WSRQWTCBDHWVGY-UHFFFAOYSA-N |
| Molecular Formula | C7H7BF2O3 |
Dicyclopentanyl Methacrylate (stabilized with MEHQ) 95.0+%, TCI America™
CAS: 34759-34-7 Molecular Formula: C14H20O2 Molecular Weight (g/mol): 220.312 InChI Key: NWAHZAIDMVNENC-UHFFFAOYSA-N Synonym: Methacrylic Acid Dicyclopentanyl Ester, Methacrylic Acid Tetrahydrodicyclopentadienyl Ester, Tetrahydrodicyclopentadienyl Methacrylate PubChem CID: 13782121 SMILES: CC(=C)C(=O)OC1CC2CC1C3C2CCC3
| PubChem CID | 13782121 |
|---|---|
| CAS | 34759-34-7 |
| Molecular Weight (g/mol) | 220.312 |
| SMILES | CC(=C)C(=O)OC1CC2CC1C3C2CCC3 |
| Synonym | Methacrylic Acid Dicyclopentanyl Ester, Methacrylic Acid Tetrahydrodicyclopentadienyl Ester, Tetrahydrodicyclopentadienyl Methacrylate |
| InChI Key | NWAHZAIDMVNENC-UHFFFAOYSA-N |
| Molecular Formula | C14H20O2 |
Amyl Decanoate 93.0+%, TCI America™
CAS: 5933-87-9 Molecular Formula: C15H30O2 Molecular Weight (g/mol): 242.403 MDL Number: MFCD00059454 InChI Key: BGYFCELTJPRWBA-UHFFFAOYSA-N Synonym: Decanoic Acid Amyl Ester, Pentyl Decanoate, Decanoic Acid Pentyl Ester PubChem CID: 550768 IUPAC Name: pentyl decanoate SMILES: CCCCCCCCCC(=O)OCCCCC
| PubChem CID | 550768 |
|---|---|
| CAS | 5933-87-9 |
| Molecular Weight (g/mol) | 242.403 |
| MDL Number | MFCD00059454 |
| SMILES | CCCCCCCCCC(=O)OCCCCC |
| Synonym | Decanoic Acid Amyl Ester, Pentyl Decanoate, Decanoic Acid Pentyl Ester |
| IUPAC Name | pentyl decanoate |
| InChI Key | BGYFCELTJPRWBA-UHFFFAOYSA-N |
| Molecular Formula | C15H30O2 |
4-Methoxyphenyl Trifluoromethanesulfonate 97.0+%, TCI America™
CAS: 66107-29-7 Molecular Formula: C8H7F3O4S Molecular Weight (g/mol): 256.195 MDL Number: MFCD00209596 InChI Key: XSTNIRWDULKNJE-UHFFFAOYSA-N Synonym: Trifluoromethanesulfonic Acid 4-Methoxyphenyl Ester, 4-Methoxyphenyl Triflate PubChem CID: 579337 IUPAC Name: (4-methoxyphenyl) trifluoromethanesulfonate SMILES: COC1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F
| PubChem CID | 579337 |
|---|---|
| CAS | 66107-29-7 |
| Molecular Weight (g/mol) | 256.195 |
| MDL Number | MFCD00209596 |
| SMILES | COC1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F |
| Synonym | Trifluoromethanesulfonic Acid 4-Methoxyphenyl Ester, 4-Methoxyphenyl Triflate |
| IUPAC Name | (4-methoxyphenyl) trifluoromethanesulfonate |
| InChI Key | XSTNIRWDULKNJE-UHFFFAOYSA-N |
| Molecular Formula | C8H7F3O4S |
Terephthalamic Acid 95.0+%, TCI America™
CAS: 6051-43-0 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.15 MDL Number: MFCD02258929 InChI Key: JMHSCWJIDIKGNZ-UHFFFAOYSA-N Synonym: Terephthalamidic Acid PubChem CID: 506057 ChEBI: CHEBI:50738 IUPAC Name: 4-carbamoylbenzoic acid SMILES: NC(=O)C1=CC=C(C=C1)C(O)=O
| PubChem CID | 506057 |
|---|---|
| CAS | 6051-43-0 |
| Molecular Weight (g/mol) | 165.15 |
| ChEBI | CHEBI:50738 |
| MDL Number | MFCD02258929 |
| SMILES | NC(=O)C1=CC=C(C=C1)C(O)=O |
| Synonym | Terephthalamidic Acid |
| IUPAC Name | 4-carbamoylbenzoic acid |
| InChI Key | JMHSCWJIDIKGNZ-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO3 |
2-Sulfobenzoic Anhydride 97.0+%, TCI America™
CAS: 81-08-3 Molecular Formula: C7H4O4S Molecular Weight (g/mol): 184.165 MDL Number: MFCD00005879 InChI Key: NCYNKWQXFADUOZ-UHFFFAOYSA-N Synonym: 2-sulfobenzoic anhydride,2-sulfobenzoic acid cyclic anhydride,sulfobenzoic anhydride,o-sulfobenzoic acid anhydride,3h-2,1-benzoxathiol-3-one, 1,1-dioxide,3h-benzo c 1,2 oxathiol-3-one 1,1-dioxide,unii-0swh68iq5w,o-sulfobenzoic acid, cyclic anhydride,2,1-benzoxathiol-3-one-1,1-dioxide,0swh68iq5w PubChem CID: 65729 IUPAC Name: 1,1-dioxo-2,1$l^{6}-benzoxathiol-3-one SMILES: C1=CC=C2C(=C1)C(=O)OS2(=O)=O
| PubChem CID | 65729 |
|---|---|
| CAS | 81-08-3 |
| Molecular Weight (g/mol) | 184.165 |
| MDL Number | MFCD00005879 |
| SMILES | C1=CC=C2C(=C1)C(=O)OS2(=O)=O |
| Synonym | 2-sulfobenzoic anhydride,2-sulfobenzoic acid cyclic anhydride,sulfobenzoic anhydride,o-sulfobenzoic acid anhydride,3h-2,1-benzoxathiol-3-one, 1,1-dioxide,3h-benzo c 1,2 oxathiol-3-one 1,1-dioxide,unii-0swh68iq5w,o-sulfobenzoic acid, cyclic anhydride,2,1-benzoxathiol-3-one-1,1-dioxide,0swh68iq5w |
| IUPAC Name | 1,1-dioxo-2,1$l^{6}-benzoxathiol-3-one |
| InChI Key | NCYNKWQXFADUOZ-UHFFFAOYSA-N |
| Molecular Formula | C7H4O4S |
Sodium 1-Propanesulfonate 98.0+%, TCI America™
CAS: 14533-63-2 Molecular Formula: C3H7NaO3S Molecular Weight (g/mol): 146.136 MDL Number: MFCD00062546 InChI Key: NPAWNPCNZAPTKA-UHFFFAOYSA-M Synonym: sodium 1-propanesulfonate,sodium propanesulphonate,1-propanesulfonic acid sodium salt,sodium propane-1-sulfonate,sodium propanesulfonate,acmc-209cuo,ipc-alks-3,c3h7o3s.na,potassium propane-1-sulfonate,propanesulfonic acid sodium salt PubChem CID: 4319363 IUPAC Name: sodium;propane-1-sulfonate SMILES: CCCS(=O)(=O)[O-].[Na+]
| PubChem CID | 4319363 |
|---|---|
| CAS | 14533-63-2 |
| Molecular Weight (g/mol) | 146.136 |
| MDL Number | MFCD00062546 |
| SMILES | CCCS(=O)(=O)[O-].[Na+] |
| Synonym | sodium 1-propanesulfonate,sodium propanesulphonate,1-propanesulfonic acid sodium salt,sodium propane-1-sulfonate,sodium propanesulfonate,acmc-209cuo,ipc-alks-3,c3h7o3s.na,potassium propane-1-sulfonate,propanesulfonic acid sodium salt |
| IUPAC Name | sodium;propane-1-sulfonate |
| InChI Key | NPAWNPCNZAPTKA-UHFFFAOYSA-M |
| Molecular Formula | C3H7NaO3S |
Methyl Difluoroacetate 97.0+%, TCI America™
CAS: 433-53-4 Molecular Formula: C3H4F2O2 Molecular Weight (g/mol): 110.06 MDL Number: MFCD00039276 InChI Key: CSSYKHYGURSRAZ-UHFFFAOYSA-N Synonym: methyl difluoroacetate,methyl2,2-difluoroacetate,difluoroacetic acid methyl ester,acetic acid, difluoro-, methyl ester,methyldifluoroacetate,methyl difluoroacetate #,acmc-209ju0,methyl 2,2-difluoroethanoate PubChem CID: 79012 IUPAC Name: methyl 2,2-difluoroacetate SMILES: COC(=O)C(F)F
| PubChem CID | 79012 |
|---|---|
| CAS | 433-53-4 |
| Molecular Weight (g/mol) | 110.06 |
| MDL Number | MFCD00039276 |
| SMILES | COC(=O)C(F)F |
| Synonym | methyl difluoroacetate,methyl2,2-difluoroacetate,difluoroacetic acid methyl ester,acetic acid, difluoro-, methyl ester,methyldifluoroacetate,methyl difluoroacetate #,acmc-209ju0,methyl 2,2-difluoroethanoate |
| IUPAC Name | methyl 2,2-difluoroacetate |
| InChI Key | CSSYKHYGURSRAZ-UHFFFAOYSA-N |
| Molecular Formula | C3H4F2O2 |
Rhodanine-3-propionic Acid 98.0+%, TCI America™
CAS: 7025-19-6 Molecular Formula: C6H7NO3S2 Molecular Weight (g/mol): 205.246 MDL Number: MFCD00022558 InChI Key: SWAHCTPCIUXXTQ-UHFFFAOYSA-N Synonym: N-(2-Carboxyethyl)rhodanine PubChem CID: 81492 IUPAC Name: 3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid SMILES: C1C(=O)N(C(=S)S1)CCC(=O)O
| PubChem CID | 81492 |
|---|---|
| CAS | 7025-19-6 |
| Molecular Weight (g/mol) | 205.246 |
| MDL Number | MFCD00022558 |
| SMILES | C1C(=O)N(C(=S)S1)CCC(=O)O |
| Synonym | N-(2-Carboxyethyl)rhodanine |
| IUPAC Name | 3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid |
| InChI Key | SWAHCTPCIUXXTQ-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO3S2 |
6,7-Dimethoxyquinazoline-2,4-dione 98.0+%, TCI America™
CAS: 28888-44-0 Molecular Formula: C10H10N2O4 Molecular Weight (g/mol): 222.20 MDL Number: MFCD00023889 InChI Key: KWNQIIMVPSMYEM-UHFFFAOYSA-N Synonym: 6,7-dimethoxyquinazoline-2,4-dione,2,4-dihydroxy-6,7-dimethoxyquinazoline,6,7-dimethoxyquinazoline-2,4 1h,3h-dione,6,7-dimethoxyquinazoline-2,4-diol,6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione,6,7-dimethoxy-1h,3h-2,4-quinazolindione,2,4 1h,3h-quinazolinedione, 6,7-dimethoxy,6,7-dimethoxy-2,4-quinazolinedione,2,4-dihydroxy-6,7-dimethoxy quinazoline,6,7-dimethoxy-2,4-dihydroxy quinazoline PubChem CID: 120081 IUPAC Name: 6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione SMILES: COC1=C(OC)C=C2C(=O)NC(=O)NC2=C1
| PubChem CID | 120081 |
|---|---|
| CAS | 28888-44-0 |
| Molecular Weight (g/mol) | 222.20 |
| MDL Number | MFCD00023889 |
| SMILES | COC1=C(OC)C=C2C(=O)NC(=O)NC2=C1 |
| Synonym | 6,7-dimethoxyquinazoline-2,4-dione,2,4-dihydroxy-6,7-dimethoxyquinazoline,6,7-dimethoxyquinazoline-2,4 1h,3h-dione,6,7-dimethoxyquinazoline-2,4-diol,6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione,6,7-dimethoxy-1h,3h-2,4-quinazolindione,2,4 1h,3h-quinazolinedione, 6,7-dimethoxy,6,7-dimethoxy-2,4-quinazolinedione,2,4-dihydroxy-6,7-dimethoxy quinazoline,6,7-dimethoxy-2,4-dihydroxy quinazoline |
| IUPAC Name | 6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione |
| InChI Key | KWNQIIMVPSMYEM-UHFFFAOYSA-N |
| Molecular Formula | C10H10N2O4 |