Organic acids and derivatives
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4,4'-Diaminodiphenylamine Sulfate Hydrate 97.0+%, TCI America™
CAS: 53760-27-3 Molecular Formula: C12H15N3O4S Molecular Weight (g/mol): 297.329 MDL Number: MFCD00013113 InChI Key: OOZQLPDAELLDNY-UHFFFAOYSA-N Synonym: 4,4'-diaminodiphenylamine sulfate,n1-4-aminophenyl benzene-1,4-diamine sulfate,unii-02x5ljd26t,n4-4-aminophenyl benzene-1,4-diamine; sulfuric acid,n1-4-aminophenyl benzene-1,4-diamine; sulfuric acid,4,4'-iminodianiline sulfate,n-4-aminophenyl benzene-1,4-diamine sulfate 1:1,4,4'-diaminodiphenylaminsulfat,bis 4-aminophenyl amine sulfate,n-4-aminophenyl benzene-1,4-diamine sulphate 1:1 PubChem CID: 104599 IUPAC Name: 4-N-(4-aminophenyl)benzene-1,4-diamine;sulfuric acid SMILES: C1=CC(=CC=C1N)NC2=CC=C(C=C2)N.OS(=O)(=O)O
| PubChem CID | 104599 |
|---|---|
| CAS | 53760-27-3 |
| Molecular Weight (g/mol) | 297.329 |
| MDL Number | MFCD00013113 |
| SMILES | C1=CC(=CC=C1N)NC2=CC=C(C=C2)N.OS(=O)(=O)O |
| Synonym | 4,4'-diaminodiphenylamine sulfate,n1-4-aminophenyl benzene-1,4-diamine sulfate,unii-02x5ljd26t,n4-4-aminophenyl benzene-1,4-diamine; sulfuric acid,n1-4-aminophenyl benzene-1,4-diamine; sulfuric acid,4,4'-iminodianiline sulfate,n-4-aminophenyl benzene-1,4-diamine sulfate 1:1,4,4'-diaminodiphenylaminsulfat,bis 4-aminophenyl amine sulfate,n-4-aminophenyl benzene-1,4-diamine sulphate 1:1 |
| IUPAC Name | 4-N-(4-aminophenyl)benzene-1,4-diamine;sulfuric acid |
| InChI Key | OOZQLPDAELLDNY-UHFFFAOYSA-N |
| Molecular Formula | C12H15N3O4S |
Potassium p-Tolyl Sulfate 98.0+%, TCI America™
CAS: 91978-69-7 Molecular Formula: C7H7KO4S Molecular Weight (g/mol): 226.29 MDL Number: MFCD28100835 InChI Key: HTSFIPMTBJHYFQ-UHFFFAOYSA-M Synonym: Potassium p-Cresyl Sulfate, Sulfuric Acid p-Tolyl Ester Potassium Salt, Sulfuric Acid p-Cresyl Ester Potassium Salt PubChem CID: 91972090 IUPAC Name: potassium 4-methylphenyl sulfate SMILES: [K+].CC1=CC=C(OS([O-])(=O)=O)C=C1
| PubChem CID | 91972090 |
|---|---|
| CAS | 91978-69-7 |
| Molecular Weight (g/mol) | 226.29 |
| MDL Number | MFCD28100835 |
| SMILES | [K+].CC1=CC=C(OS([O-])(=O)=O)C=C1 |
| Synonym | Potassium p-Cresyl Sulfate, Sulfuric Acid p-Tolyl Ester Potassium Salt, Sulfuric Acid p-Cresyl Ester Potassium Salt |
| IUPAC Name | potassium 4-methylphenyl sulfate |
| InChI Key | HTSFIPMTBJHYFQ-UHFFFAOYSA-M |
| Molecular Formula | C7H7KO4S |
4,5,6-Triaminopyrimidine Sulfate Hydrate 98.0+%, TCI America™
CAS: 6640-23-9 Molecular Formula: C4H11N5O5S Molecular Weight (g/mol): 241.222 MDL Number: MFCD00012789 InChI Key: WRXLIMZODSSQIH-UHFFFAOYSA-N Synonym: 4,5,6-triaminopyrimidine sulfate hydrate,4,5,6-triaminepyrimidine sulfate hydrate,pyrimidine, 4,5,6-triamino-, sulfate, hydrate,pyrimidine-4,5,6-triamine sulfate hydrate,pyrimidine-4,5,6-triamine sulfuric acid hydrate,pyrimidine-4,5,6-triamine; sulfuric acid; hydrate,zlchem 873,acmc-209nvb,c4h7n5.h2o.h2so4,4,5,6-triaminopyrimidine sulfate, hydrate PubChem CID: 201714 IUPAC Name: pyrimidine-4,5,6-triamine;sulfuric acid;hydrate SMILES: C1=NC(=C(C(=N1)N)N)N.O.OS(=O)(=O)O
| PubChem CID | 201714 |
|---|---|
| CAS | 6640-23-9 |
| Molecular Weight (g/mol) | 241.222 |
| MDL Number | MFCD00012789 |
| SMILES | C1=NC(=C(C(=N1)N)N)N.O.OS(=O)(=O)O |
| Synonym | 4,5,6-triaminopyrimidine sulfate hydrate,4,5,6-triaminepyrimidine sulfate hydrate,pyrimidine, 4,5,6-triamino-, sulfate, hydrate,pyrimidine-4,5,6-triamine sulfate hydrate,pyrimidine-4,5,6-triamine sulfuric acid hydrate,pyrimidine-4,5,6-triamine; sulfuric acid; hydrate,zlchem 873,acmc-209nvb,c4h7n5.h2o.h2so4,4,5,6-triaminopyrimidine sulfate, hydrate |
| IUPAC Name | pyrimidine-4,5,6-triamine;sulfuric acid;hydrate |
| InChI Key | WRXLIMZODSSQIH-UHFFFAOYSA-N |
| Molecular Formula | C4H11N5O5S |
Diisopropyl Sulfate 97.0+%, TCI America™
CAS: 2973-10-6 Molecular Formula: C6H14O4S Molecular Weight (g/mol): 182.23 MDL Number: MFCD01682898 InChI Key: HWBLTYHIEYOAOL-UHFFFAOYSA-N PubChem CID: 18096 ChEBI: CHEBI:82320 IUPAC Name: dipropan-2-yl sulfate SMILES: CC(C)OS(=O)(=O)OC(C)C
| PubChem CID | 18096 |
|---|---|
| CAS | 2973-10-6 |
| Molecular Weight (g/mol) | 182.23 |
| ChEBI | CHEBI:82320 |
| MDL Number | MFCD01682898 |
| SMILES | CC(C)OS(=O)(=O)OC(C)C |
| IUPAC Name | dipropan-2-yl sulfate |
| InChI Key | HWBLTYHIEYOAOL-UHFFFAOYSA-N |
| Molecular Formula | C6H14O4S |
9-(4'-Dimethylaminophenyl)-2,6,7-trihydroxyfluorone Sulfate Hydrate 96.0+%, TCI America™
CAS: 71501-19-4 Molecular Formula: C21H19NO9S Molecular Weight (g/mol): 461.44 MDL Number: MFCD00022273 InChI Key: YVJPXJIYDRZLQC-UHFFFAOYSA-N Synonym: Dimethylaminophenylfluorone (so called) PubChem CID: 91659008 IUPAC Name: N,N-dimethyl-4-(2,6,7-trihydroxy-3-oxo-3H-xanthen-1-yl)anilinium hydrogen sulfate SMILES: OS([O-])(=O)=O.C[NH+](C)C1=CC=C(C=C1)C1=C(O)C(=O)C=C2OC3=CC(O)=C(O)C=C3C=C12
| PubChem CID | 91659008 |
|---|---|
| CAS | 71501-19-4 |
| Molecular Weight (g/mol) | 461.44 |
| MDL Number | MFCD00022273 |
| SMILES | OS([O-])(=O)=O.C[NH+](C)C1=CC=C(C=C1)C1=C(O)C(=O)C=C2OC3=CC(O)=C(O)C=C3C=C12 |
| Synonym | Dimethylaminophenylfluorone (so called) |
| IUPAC Name | N,N-dimethyl-4-(2,6,7-trihydroxy-3-oxo-3H-xanthen-1-yl)anilinium hydrogen sulfate |
| InChI Key | YVJPXJIYDRZLQC-UHFFFAOYSA-N |
| Molecular Formula | C21H19NO9S |
1,3-Phenylenediamine Sulfate 98.0+%, TCI America™
CAS: 541-70-8 Molecular Formula: C6H10N2O4S Molecular Weight (g/mol): 206.216 MDL Number: MFCD00060223 InChI Key: LDXYDHGRKFMULJ-UHFFFAOYSA-N Synonym: 1,3-Diaminobenzene Sulfate PubChem CID: 10942 IUPAC Name: benzene-1,3-diamine;sulfuric acid SMILES: C1=CC(=CC(=C1)N)N.OS(=O)(=O)O
| PubChem CID | 10942 |
|---|---|
| CAS | 541-70-8 |
| Molecular Weight (g/mol) | 206.216 |
| MDL Number | MFCD00060223 |
| SMILES | C1=CC(=CC(=C1)N)N.OS(=O)(=O)O |
| Synonym | 1,3-Diaminobenzene Sulfate |
| IUPAC Name | benzene-1,3-diamine;sulfuric acid |
| InChI Key | LDXYDHGRKFMULJ-UHFFFAOYSA-N |
| Molecular Formula | C6H10N2O4S |
Bis(phenylacetyl) Disulfide 98.0+%, TCI America™
CAS: 15088-78-5 Molecular Formula: C16H14O2S2 Molecular Weight (g/mol): 302.41 MDL Number: MFCD00513572 InChI Key: IXGZXXBJSZISOO-UHFFFAOYSA-N Synonym: phenylacetyl disulfide,2-phenylacetic dithioperoxyanhydride,phenylacetyl disulphide,bis phenylacetyl disulfide,bis phenylacetyl disulphide,2-phenyl-1-2-phenylacetyl disulfanyl ethanone,bis phenylacetyl persulfide,phenylacetyl disulfide 5g,s-2-phenylacetyl sulfanyl 2-phenylethanethioate PubChem CID: 3378603 IUPAC Name: 2-phenyl-1-[(2-phenylacetyl)disulfanyl]ethan-1-one SMILES: O=C(CC1=CC=CC=C1)SSC(=O)CC1=CC=CC=C1
| PubChem CID | 3378603 |
|---|---|
| CAS | 15088-78-5 |
| Molecular Weight (g/mol) | 302.41 |
| MDL Number | MFCD00513572 |
| SMILES | O=C(CC1=CC=CC=C1)SSC(=O)CC1=CC=CC=C1 |
| Synonym | phenylacetyl disulfide,2-phenylacetic dithioperoxyanhydride,phenylacetyl disulphide,bis phenylacetyl disulfide,bis phenylacetyl disulphide,2-phenyl-1-2-phenylacetyl disulfanyl ethanone,bis phenylacetyl persulfide,phenylacetyl disulfide 5g,s-2-phenylacetyl sulfanyl 2-phenylethanethioate |
| IUPAC Name | 2-phenyl-1-[(2-phenylacetyl)disulfanyl]ethan-1-one |
| InChI Key | IXGZXXBJSZISOO-UHFFFAOYSA-N |
| Molecular Formula | C16H14O2S2 |
Capecitabine 98.0+%, TCI America™
CAS: 154361-50-9 Molecular Formula: C15H22FN3O6 Molecular Weight (g/mol): 359.354 MDL Number: MFCD00930626 InChI Key: GAGWJHPBXLXJQN-UORFTKCHSA-N Synonym: capecitabine,xeloda,capiibine,capecitibine,caxeta,xabine,capecitabine usan,capecitabina,capecitabinum,capecitabin PubChem CID: 60953 ChEBI: CHEBI:31348 IUPAC Name: pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate SMILES: CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O
| PubChem CID | 60953 |
|---|---|
| CAS | 154361-50-9 |
| Molecular Weight (g/mol) | 359.354 |
| ChEBI | CHEBI:31348 |
| MDL Number | MFCD00930626 |
| SMILES | CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O |
| Synonym | capecitabine,xeloda,capiibine,capecitibine,caxeta,xabine,capecitabine usan,capecitabina,capecitabinum,capecitabin |
| IUPAC Name | pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate |
| InChI Key | GAGWJHPBXLXJQN-UORFTKCHSA-N |
| Molecular Formula | C15H22FN3O6 |
tert-Butyldimethylsilyl N-Phenylbenzimidate 98.0+%, TCI America™
CAS: 404392-70-7 Molecular Formula: C19H25NOSi Molecular Weight (g/mol): 311.50 MDL Number: MFCD08276306 InChI Key: CQKWSHDUCPVOAI-UHFFFAOYSA-N Synonym: O-(tert-Butyldimethylsilyl)benzanilide, TBDMS-BEZA PubChem CID: 11197712 IUPAC Name: tert-butyldimethylsilyl N-phenylbenzenecarboximidate SMILES: CC(C)(C)[Si](C)(C)OC(=NC1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 11197712 |
|---|---|
| CAS | 404392-70-7 |
| Molecular Weight (g/mol) | 311.50 |
| MDL Number | MFCD08276306 |
| SMILES | CC(C)(C)[Si](C)(C)OC(=NC1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | O-(tert-Butyldimethylsilyl)benzanilide, TBDMS-BEZA |
| IUPAC Name | tert-butyldimethylsilyl N-phenylbenzenecarboximidate |
| InChI Key | CQKWSHDUCPVOAI-UHFFFAOYSA-N |
| Molecular Formula | C19H25NOSi |
Ethyl Chlorofluoroacetate 98.0+%, TCI America™
CAS: 401-56-9 Molecular Formula: C4H6ClFO2 Molecular Weight (g/mol): 140.538 MDL Number: MFCD00039333 InChI Key: WUHVJSONZHSDFC-UHFFFAOYSA-N Synonym: ethyl chlorofluoroacetate,acetic acid, chlorofluoro-, ethyl ester,chlorofluoroacetic acid ethyl ester,ethyl chloro fluoro acetate,ethyl fluorochloroacetate,acetic acid, 2-chloro-2-fluoro-, ethyl ester,acmc-1csjg,ksc492m6l,ethyl 2-chloro-2-fluoro-acetate PubChem CID: 101668 IUPAC Name: ethyl 2-chloro-2-fluoroacetate SMILES: CCOC(=O)C(F)Cl
| PubChem CID | 101668 |
|---|---|
| CAS | 401-56-9 |
| Molecular Weight (g/mol) | 140.538 |
| MDL Number | MFCD00039333 |
| SMILES | CCOC(=O)C(F)Cl |
| Synonym | ethyl chlorofluoroacetate,acetic acid, chlorofluoro-, ethyl ester,chlorofluoroacetic acid ethyl ester,ethyl chloro fluoro acetate,ethyl fluorochloroacetate,acetic acid, 2-chloro-2-fluoro-, ethyl ester,acmc-1csjg,ksc492m6l,ethyl 2-chloro-2-fluoro-acetate |
| IUPAC Name | ethyl 2-chloro-2-fluoroacetate |
| InChI Key | WUHVJSONZHSDFC-UHFFFAOYSA-N |
| Molecular Formula | C4H6ClFO2 |
Dimethyl Hexafluoroglutarate 96.0+%, TCI America™
CAS: 1513-62-8 Molecular Formula: C7H6F6O4 Molecular Weight (g/mol): 268.111 MDL Number: MFCD00155851 InChI Key: PJZVBCPDYSZAJU-UHFFFAOYSA-N Synonym: Dimethyl Perfluoroglutarate, Dimethyl Hexafluoropentanedioate, Hexafluoroglutaric Acid Dimethyl Ester, Perfluoroglutaric Acid Dimethyl Ester, Hexafluoropentanedioic Acid Dimethyl Ester PubChem CID: 123116 IUPAC Name: dimethyl 2,2,3,3,4,4-hexafluoropentanedioate SMILES: COC(=O)C(C(C(C(=O)OC)(F)F)(F)F)(F)F
| PubChem CID | 123116 |
|---|---|
| CAS | 1513-62-8 |
| Molecular Weight (g/mol) | 268.111 |
| MDL Number | MFCD00155851 |
| SMILES | COC(=O)C(C(C(C(=O)OC)(F)F)(F)F)(F)F |
| Synonym | Dimethyl Perfluoroglutarate, Dimethyl Hexafluoropentanedioate, Hexafluoroglutaric Acid Dimethyl Ester, Perfluoroglutaric Acid Dimethyl Ester, Hexafluoropentanedioic Acid Dimethyl Ester |
| IUPAC Name | dimethyl 2,2,3,3,4,4-hexafluoropentanedioate |
| InChI Key | PJZVBCPDYSZAJU-UHFFFAOYSA-N |
| Molecular Formula | C7H6F6O4 |
Methyl Dichlorostearate (mixture of isomers), TCI America™
CAS: 27986-38-5 Molecular Formula: C19H36Cl2O2 Molecular Weight (g/mol): 367.395 MDL Number: MFCD00060077 InChI Key: HDINWBRYKNUCEC-UHFFFAOYSA-N Synonym: Dichlorooctadecanoic Acid Methyl Ester, Dichlorostearic Acid Methyl Ester, Methyl Dichlorooctadecanoate PubChem CID: 53871329 IUPAC Name: methyl 2,2-dichlorooctadecanoate SMILES: CCCCCCCCCCCCCCCCC(C(=O)OC)(Cl)Cl
| PubChem CID | 53871329 |
|---|---|
| CAS | 27986-38-5 |
| Molecular Weight (g/mol) | 367.395 |
| MDL Number | MFCD00060077 |
| SMILES | CCCCCCCCCCCCCCCCC(C(=O)OC)(Cl)Cl |
| Synonym | Dichlorooctadecanoic Acid Methyl Ester, Dichlorostearic Acid Methyl Ester, Methyl Dichlorooctadecanoate |
| IUPAC Name | methyl 2,2-dichlorooctadecanoate |
| InChI Key | HDINWBRYKNUCEC-UHFFFAOYSA-N |
| Molecular Formula | C19H36Cl2O2 |
Chlorodifluoroacetic Anhydride 98.0+%, TCI America™
CAS: 2834-23-3 Molecular Formula: C4Cl2F4O3 Molecular Weight (g/mol): 242.93 MDL Number: MFCD00000774 InChI Key: VBJIFLOSOQGDRZ-UHFFFAOYSA-N Synonym: chlorodifluoroacetic anhydride,acetic acid, chlorodifluoro-, anhydride,acetic acid, 2-chloro-2,2-difluoro-, 1,1'-anhydride,chlorodifluoroacetic anhyride,chlorodifluoroacetic acid anhydride,2-chloro-2,2-difluoroacetic anhydride,2-chloro-2,2-difluoroacetyl 2-chloro-2,2-difluoroacetate PubChem CID: 76074 IUPAC Name: 2-chloro-2,2-difluoroacetyl 2-chloro-2,2-difluoroacetate SMILES: FC(F)(Cl)C(=O)OC(=O)C(F)(F)Cl
| PubChem CID | 76074 |
|---|---|
| CAS | 2834-23-3 |
| Molecular Weight (g/mol) | 242.93 |
| MDL Number | MFCD00000774 |
| SMILES | FC(F)(Cl)C(=O)OC(=O)C(F)(F)Cl |
| Synonym | chlorodifluoroacetic anhydride,acetic acid, chlorodifluoro-, anhydride,acetic acid, 2-chloro-2,2-difluoro-, 1,1'-anhydride,chlorodifluoroacetic anhyride,chlorodifluoroacetic acid anhydride,2-chloro-2,2-difluoroacetic anhydride,2-chloro-2,2-difluoroacetyl 2-chloro-2,2-difluoroacetate |
| IUPAC Name | 2-chloro-2,2-difluoroacetyl 2-chloro-2,2-difluoroacetate |
| InChI Key | VBJIFLOSOQGDRZ-UHFFFAOYSA-N |
| Molecular Formula | C4Cl2F4O3 |
Sodium 2,2-Dichloropropionate 85.0+%, TCI America™
CAS: 127-20-8 Molecular Formula: C3H3Cl2NaO2 Molecular Weight (g/mol): 164.945 MDL Number: MFCD00064199 InChI Key: PDEFQWNXOUGDJR-UHFFFAOYSA-M Synonym: 2,2-Dichloropropionic Acid Sodium Salt PubChem CID: 517058 IUPAC Name: sodium;2,2-dichloropropanoate SMILES: CC(C(=O)[O-])(Cl)Cl.[Na+]
| PubChem CID | 517058 |
|---|---|
| CAS | 127-20-8 |
| Molecular Weight (g/mol) | 164.945 |
| MDL Number | MFCD00064199 |
| SMILES | CC(C(=O)[O-])(Cl)Cl.[Na+] |
| Synonym | 2,2-Dichloropropionic Acid Sodium Salt |
| IUPAC Name | sodium;2,2-dichloropropanoate |
| InChI Key | PDEFQWNXOUGDJR-UHFFFAOYSA-M |
| Molecular Formula | C3H3Cl2NaO2 |
Ethyl 2,2-Difluoro-2-(trimethylsilyl)acetate 97.0+%, TCI America™
CAS: 205865-67-4 Molecular Formula: C7H14F2O2Si Molecular Weight (g/mol): 196.269 MDL Number: MFCD04973092 InChI Key: DYAKYYSMROBYNG-UHFFFAOYSA-N Synonym: 2,2-Difluoro-2-(trimethylsilyl)acetic Acid Ethyl Ester PubChem CID: 2758940 IUPAC Name: ethyl 2,2-difluoro-2-trimethylsilylacetate SMILES: CCOC(=O)C(F)(F)[Si](C)(C)C
| PubChem CID | 2758940 |
|---|---|
| CAS | 205865-67-4 |
| Molecular Weight (g/mol) | 196.269 |
| MDL Number | MFCD04973092 |
| SMILES | CCOC(=O)C(F)(F)[Si](C)(C)C |
| Synonym | 2,2-Difluoro-2-(trimethylsilyl)acetic Acid Ethyl Ester |
| IUPAC Name | ethyl 2,2-difluoro-2-trimethylsilylacetate |
| InChI Key | DYAKYYSMROBYNG-UHFFFAOYSA-N |
| Molecular Formula | C7H14F2O2Si |