Organic acids and derivatives
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Ethanesulfonic acid, 96%
CAS: 594-45-6 Molecular Formula: C2H5O3S Molecular Weight (g/mol): 109.12 MDL Number: MFCD00007529 InChI Key: CCIVGXIOQKPBKL-UHFFFAOYSA-M Synonym: ethylsulfonic acid,ethanesulphonic acid,ethane sulfonate,ethane sulfonic acid,ethane sulphonic acid,ethansulfonic acid,ethylsulphonic acid,1-ethanesulfonic acid,2-ethanesulfonic acid,ethanesulfonicacid PubChem CID: 11668 ChEBI: CHEBI:42465 IUPAC Name: ethanesulfonic acid SMILES: CCS([O-])(=O)=O
| PubChem CID | 11668 |
|---|---|
| CAS | 594-45-6 |
| Molecular Weight (g/mol) | 109.12 |
| ChEBI | CHEBI:42465 |
| MDL Number | MFCD00007529 |
| SMILES | CCS([O-])(=O)=O |
| Synonym | ethylsulfonic acid,ethanesulphonic acid,ethane sulfonate,ethane sulfonic acid,ethane sulphonic acid,ethansulfonic acid,ethylsulphonic acid,1-ethanesulfonic acid,2-ethanesulfonic acid,ethanesulfonicacid |
| IUPAC Name | ethanesulfonic acid |
| InChI Key | CCIVGXIOQKPBKL-UHFFFAOYSA-M |
| Molecular Formula | C2H5O3S |
Ethyl trifluoroacetate, 99%
CAS: 383-63-1 Molecular Formula: C4H5F3O2 Molecular Weight (g/mol): 142.08 MDL Number: MFCD00000419 InChI Key: STSCVKRWJPWALQ-UHFFFAOYSA-N Synonym: ethyl trifluoroacetate,trifluoroacetic acid ethyl ester,ethyltrifluoroacetate,acetic acid, trifluoro-, ethyl ester,trifluoroacetic acid, ethyl ester,ethyl trifluoroethanoate,unii-a6tzk6x11x,acetic acid, 2,2,2-trifluoro-, ethyl ester,a6tzk6x11x,ethyl ester of trifluoroacetic acid PubChem CID: 9794 IUPAC Name: ethyl 2,2,2-trifluoroacetate SMILES: CCOC(=O)C(F)(F)F
| PubChem CID | 9794 |
|---|---|
| CAS | 383-63-1 |
| Molecular Weight (g/mol) | 142.08 |
| MDL Number | MFCD00000419 |
| SMILES | CCOC(=O)C(F)(F)F |
| Synonym | ethyl trifluoroacetate,trifluoroacetic acid ethyl ester,ethyltrifluoroacetate,acetic acid, trifluoro-, ethyl ester,trifluoroacetic acid, ethyl ester,ethyl trifluoroethanoate,unii-a6tzk6x11x,acetic acid, 2,2,2-trifluoro-, ethyl ester,a6tzk6x11x,ethyl ester of trifluoroacetic acid |
| IUPAC Name | ethyl 2,2,2-trifluoroacetate |
| InChI Key | STSCVKRWJPWALQ-UHFFFAOYSA-N |
| Molecular Formula | C4H5F3O2 |
Trifluoroacetic anhydride, 99+%
CAS: 407-25-0 Molecular Formula: C4F6O3 Molecular Weight (g/mol): 210.03 MDL Number: MFCD00000416 InChI Key: QAEDZJGFFMLHHQ-UHFFFAOYSA-N Synonym: trifluoroacetic anhydride,trifluoroacetic acid anhydride,2,2,2-trifluoroacetic anhydride,bis trifluoroacetic anhydride,acetic acid, trifluoro-, anhydride,perfluoroacetic anhydride,trifluoroacetyl anhydride,tfaa,hexafluoroacetic anhydride,anhydrid kyseliny trifluoroctove PubChem CID: 9845 IUPAC Name: (2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate SMILES: FC(F)(F)C(=O)OC(=O)C(F)(F)F
| PubChem CID | 9845 |
|---|---|
| CAS | 407-25-0 |
| Molecular Weight (g/mol) | 210.03 |
| MDL Number | MFCD00000416 |
| SMILES | FC(F)(F)C(=O)OC(=O)C(F)(F)F |
| Synonym | trifluoroacetic anhydride,trifluoroacetic acid anhydride,2,2,2-trifluoroacetic anhydride,bis trifluoroacetic anhydride,acetic acid, trifluoro-, anhydride,perfluoroacetic anhydride,trifluoroacetyl anhydride,tfaa,hexafluoroacetic anhydride,anhydrid kyseliny trifluoroctove |
| IUPAC Name | (2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate |
| InChI Key | QAEDZJGFFMLHHQ-UHFFFAOYSA-N |
| Molecular Formula | C4F6O3 |
2-Aminoethyl diphenylborinate, 98%
CAS: 524-95-8 Molecular Formula: C14H16BNO Molecular Weight (g/mol): 225.10 MDL Number: MFCD00014823 InChI Key: BLZVCIGGICSWIG-UHFFFAOYSA-N Synonym: 2-aminoethyl diphenylborinate,2-apb,2-aminoethoxy diphenylborane,2-aminoethoxydiphenylborane,2-aminoethoxydiphenylborate,2-aminoethoxydiphenyl borate,o-2-aminoethyl diphenylborinic acid,b-2-aminoethoxy diphenylborane,2-diphenylboryl oxy ethanamine,borinic acid, o-2-aminoethyl diphenyl PubChem CID: 1598 SMILES: NCCOB(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 1598 |
|---|---|
| CAS | 524-95-8 |
| Molecular Weight (g/mol) | 225.10 |
| MDL Number | MFCD00014823 |
| SMILES | NCCOB(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 2-aminoethyl diphenylborinate,2-apb,2-aminoethoxy diphenylborane,2-aminoethoxydiphenylborane,2-aminoethoxydiphenylborate,2-aminoethoxydiphenyl borate,o-2-aminoethyl diphenylborinic acid,b-2-aminoethoxy diphenylborane,2-diphenylboryl oxy ethanamine,borinic acid, o-2-aminoethyl diphenyl |
| InChI Key | BLZVCIGGICSWIG-UHFFFAOYSA-N |
| Molecular Formula | C14H16BNO |
Ethyl bromoacetate, 98%
CAS: 105-36-2 Molecular Formula: C4H7BrO2 Molecular Weight (g/mol): 167.002 MDL Number: MFCD00000191 InChI Key: PQJJJMRNHATNKG-UHFFFAOYSA-N Synonym: ethyl bromoacetate,antol,ethyl bromacetate,bromoacetic acid ethyl ester,ethyl monobromoacetate,acetic acid, bromo-, ethyl ester,ethoxycarbonylmethyl bromide,bromoacetic acid, ethyl ester,ethyl alpha-bromoacetate,ethyl bromo acetate PubChem CID: 7748 IUPAC Name: ethyl 2-bromoacetate SMILES: CCOC(=O)CBr
| PubChem CID | 7748 |
|---|---|
| CAS | 105-36-2 |
| Molecular Weight (g/mol) | 167.002 |
| MDL Number | MFCD00000191 |
| SMILES | CCOC(=O)CBr |
| Synonym | ethyl bromoacetate,antol,ethyl bromacetate,bromoacetic acid ethyl ester,ethyl monobromoacetate,acetic acid, bromo-, ethyl ester,ethoxycarbonylmethyl bromide,bromoacetic acid, ethyl ester,ethyl alpha-bromoacetate,ethyl bromo acetate |
| IUPAC Name | ethyl 2-bromoacetate |
| InChI Key | PQJJJMRNHATNKG-UHFFFAOYSA-N |
| Molecular Formula | C4H7BrO2 |
n-Butyl acetate, ACS reagent
CAS: 123-86-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009445 InChI Key: DKPFZGUDAPQIHT-UHFFFAOYSA-N Synonym: n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle PubChem CID: 31272 ChEBI: CHEBI:31328 IUPAC Name: butyl acetate SMILES: CCCCOC(C)=O
| PubChem CID | 31272 |
|---|---|
| CAS | 123-86-4 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:31328 |
| MDL Number | MFCD00009445 |
| SMILES | CCCCOC(C)=O |
| Synonym | n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle |
| IUPAC Name | butyl acetate |
| InChI Key | DKPFZGUDAPQIHT-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
1,6-Hexanediol diacrylate, 99% (reactive esters), stab. with 90ppm hydroquinone
CAS: 13048-33-4 Molecular Formula: C12H18O4 Molecular Weight (g/mol): 226.27 MDL Number: MFCD00008631 InChI Key: FIHBHSQYSYVZQE-UHFFFAOYSA-N Synonym: 1,6-hexanediol diacrylate,hexamethylene diacrylate,kayarad hdda,hexane-1,6-diyl diacrylate,1,6-hexamethylene diacrylate,hexamethylene glycol diacrylate,sartomer 238,hdoda,viscoat 230,hexamethylene acrylate PubChem CID: 25644 IUPAC Name: 6-prop-2-enoyloxyhexyl prop-2-enoate SMILES: C=CC(=O)OCCCCCCOC(=O)C=C
| PubChem CID | 25644 |
|---|---|
| CAS | 13048-33-4 |
| Molecular Weight (g/mol) | 226.27 |
| MDL Number | MFCD00008631 |
| SMILES | C=CC(=O)OCCCCCCOC(=O)C=C |
| Synonym | 1,6-hexanediol diacrylate,hexamethylene diacrylate,kayarad hdda,hexane-1,6-diyl diacrylate,1,6-hexamethylene diacrylate,hexamethylene glycol diacrylate,sartomer 238,hdoda,viscoat 230,hexamethylene acrylate |
| IUPAC Name | 6-prop-2-enoyloxyhexyl prop-2-enoate |
| InChI Key | FIHBHSQYSYVZQE-UHFFFAOYSA-N |
| Molecular Formula | C12H18O4 |
Phloroglucinol dihydrate, 98%
CAS: 6099-90-7 Molecular Formula: C6H10O5 Molecular Weight (g/mol): 162.141 MDL Number: MFCD00149090 InChI Key: MPYXTIHPALVENR-UHFFFAOYSA-N Synonym: phloroglucinol dihydrate,benzene-1,3,5-triol dihydrate,1,3,5-trihydroxybenzene dihydrate,1,3,5-benzenetriol, dihydrate,phloroglucinol, dihydrate,sym-trihydroxybenze,unii-0x7b22brg1,ccris 6521,1,3,5-benzoltrioldihydrat,phloroglucinoldihydrate PubChem CID: 80196 IUPAC Name: benzene-1,3,5-triol;dihydrate SMILES: C1=C(C=C(C=C1O)O)O.O.O
| PubChem CID | 80196 |
|---|---|
| CAS | 6099-90-7 |
| Molecular Weight (g/mol) | 162.141 |
| MDL Number | MFCD00149090 |
| SMILES | C1=C(C=C(C=C1O)O)O.O.O |
| Synonym | phloroglucinol dihydrate,benzene-1,3,5-triol dihydrate,1,3,5-trihydroxybenzene dihydrate,1,3,5-benzenetriol, dihydrate,phloroglucinol, dihydrate,sym-trihydroxybenze,unii-0x7b22brg1,ccris 6521,1,3,5-benzoltrioldihydrat,phloroglucinoldihydrate |
| IUPAC Name | benzene-1,3,5-triol;dihydrate |
| InChI Key | MPYXTIHPALVENR-UHFFFAOYSA-N |
| Molecular Formula | C6H10O5 |
Isonicotinic acid hydrazide, 98+%
CAS: 54-85-3 Molecular Formula: C6H7N3O Molecular Weight (g/mol): 137.142 MDL Number: MFCD00006426 InChI Key: QRXWMOHMRWLFEY-UHFFFAOYSA-N Synonym: isoniazid,isonicotinic acid hydrazide,isonicotinohydrazide,rimifon,isoniazide,nydrazid,isonicotinic hydrazide,laniazid,isonicotinylhydrazine,andrazide PubChem CID: 3767 ChEBI: CHEBI:6030 IUPAC Name: pyridine-4-carbohydrazide SMILES: C1=CN=CC=C1C(=O)NN
| PubChem CID | 3767 |
|---|---|
| CAS | 54-85-3 |
| Molecular Weight (g/mol) | 137.142 |
| ChEBI | CHEBI:6030 |
| MDL Number | MFCD00006426 |
| SMILES | C1=CN=CC=C1C(=O)NN |
| Synonym | isoniazid,isonicotinic acid hydrazide,isonicotinohydrazide,rimifon,isoniazide,nydrazid,isonicotinic hydrazide,laniazid,isonicotinylhydrazine,andrazide |
| IUPAC Name | pyridine-4-carbohydrazide |
| InChI Key | QRXWMOHMRWLFEY-UHFFFAOYSA-N |
| Molecular Formula | C6H7N3O |
Diethyl fumarate, 98%
CAS: 623-91-6 Molecular Formula: C8H12O4 Molecular Weight (g/mol): 172.18 MDL Number: MFCD00064455 InChI Key: IEPRKVQEAMIZSS-AATRIKPKSA-N Synonym: diethyl fumarate,fumaric acid, diethyl ester,anti-psoriaticum,diethyl 2e-but-2-enedioate,fumaric acid diethyl ester,diethyl e-but-2-enedioate,2-butenedioic acid e-, diethyl ester,trans-2-butenedioic acid diethyl ester,2-butenedioic acid 2e-, diethyl ester,unii-5wbu5a3e8a PubChem CID: 638144 ChEBI: CHEBI:87388 IUPAC Name: diethyl (E)-but-2-enedioate SMILES: CCOC(=O)\C=C\C(=O)OCC
| PubChem CID | 638144 |
|---|---|
| CAS | 623-91-6 |
| Molecular Weight (g/mol) | 172.18 |
| ChEBI | CHEBI:87388 |
| MDL Number | MFCD00064455 |
| SMILES | CCOC(=O)\C=C\C(=O)OCC |
| Synonym | diethyl fumarate,fumaric acid, diethyl ester,anti-psoriaticum,diethyl 2e-but-2-enedioate,fumaric acid diethyl ester,diethyl e-but-2-enedioate,2-butenedioic acid e-, diethyl ester,trans-2-butenedioic acid diethyl ester,2-butenedioic acid 2e-, diethyl ester,unii-5wbu5a3e8a |
| IUPAC Name | diethyl (E)-but-2-enedioate |
| InChI Key | IEPRKVQEAMIZSS-AATRIKPKSA-N |
| Molecular Formula | C8H12O4 |
DL-Tropic acid, 98%
CAS: 552-63-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00004255 InChI Key: JACRWUWPXAESPB-UHFFFAOYNA-N Synonym: tropic acid,dl-tropic acid,2-phenylhydracrylic acid,3-hydroxy-2-phenylpropionic acid,+--tropic acid,tropate,alpha-hydroxymethyl benzeneacetic acid,beta-hydroxyhydratropic acid,hydracrylic acid, 2-phenyl,alpha-hydroxymethyl phenylacetic acid PubChem CID: 10726 ChEBI: CHEBI:30765 IUPAC Name: 3-hydroxy-2-phenylpropanoic acid SMILES: OCC(C(O)=O)C1=CC=CC=C1
| PubChem CID | 10726 |
|---|---|
| CAS | 552-63-6 |
| Molecular Weight (g/mol) | 166.18 |
| ChEBI | CHEBI:30765 |
| MDL Number | MFCD00004255 |
| SMILES | OCC(C(O)=O)C1=CC=CC=C1 |
| Synonym | tropic acid,dl-tropic acid,2-phenylhydracrylic acid,3-hydroxy-2-phenylpropionic acid,+--tropic acid,tropate,alpha-hydroxymethyl benzeneacetic acid,beta-hydroxyhydratropic acid,hydracrylic acid, 2-phenyl,alpha-hydroxymethyl phenylacetic acid |
| IUPAC Name | 3-hydroxy-2-phenylpropanoic acid |
| InChI Key | JACRWUWPXAESPB-UHFFFAOYNA-N |
| Molecular Formula | C9H10O3 |
Potassium citrate tribasic monohydrate, 99%, extra pure
CAS: 6100-05-6 Molecular Formula: C6H5K3O7·H2O Molecular Weight (g/mol): 324.42 InChI Key: PJAHUDTUZRZBKM-UHFFFAOYSA-K Synonym: potassium citrate monohydrate,tripotassium citrate monohydrate,unii-ee90oni6ff,ee90oni6ff,citric acid tripotassium salt,urocit-k,ccris 6543,tri-potassium citrate monohydrate,potassium citrate tribasic monohydrate,citric acid, tripotassium salt, monohydrate PubChem CID: 2735208 ChEBI: CHEBI:64746 IUPAC Name: tripotassium;2-hydroxypropane-1,2,3-tricarboxylate;hydrate SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.[K+].[K+].[K+]
| PubChem CID | 2735208 |
|---|---|
| CAS | 6100-05-6 |
| Molecular Weight (g/mol) | 324.42 |
| ChEBI | CHEBI:64746 |
| SMILES | C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.[K+].[K+].[K+] |
| Synonym | potassium citrate monohydrate,tripotassium citrate monohydrate,unii-ee90oni6ff,ee90oni6ff,citric acid tripotassium salt,urocit-k,ccris 6543,tri-potassium citrate monohydrate,potassium citrate tribasic monohydrate,citric acid, tripotassium salt, monohydrate |
| IUPAC Name | tripotassium;2-hydroxypropane-1,2,3-tricarboxylate;hydrate |
| InChI Key | PJAHUDTUZRZBKM-UHFFFAOYSA-K |
| Molecular Formula | C6H5K3O7·H2O |
1-Decanesulfonic acid, sodium salt, 96%
CAS: 13419-61-9 Molecular Formula: C10H21NaO3S Molecular Weight (g/mol): 244.32 MDL Number: MFCD00007526 InChI Key: AIMUHNZKNFEZSN-UHFFFAOYSA-M Synonym: sodium decane-1-sulfonate,sodium 1-decanesulfonate,1-decanesulfonic acid sodium salt,1-decanesulfonic acid, sodium salt,decyl sodium sulfonate,sodium decane-1-sulphonate,ipc-alks-10,n-decylsulfonic acid, sodium salt,1-decanesulphonic acid, sodium salt,2-decanesulfonic acid, sodium salt PubChem CID: 2724181 IUPAC Name: sodium;decane-1-sulfonate SMILES: CCCCCCCCCCS(=O)(=O)[O-].[Na+]
| PubChem CID | 2724181 |
|---|---|
| CAS | 13419-61-9 |
| Molecular Weight (g/mol) | 244.32 |
| MDL Number | MFCD00007526 |
| SMILES | CCCCCCCCCCS(=O)(=O)[O-].[Na+] |
| Synonym | sodium decane-1-sulfonate,sodium 1-decanesulfonate,1-decanesulfonic acid sodium salt,1-decanesulfonic acid, sodium salt,decyl sodium sulfonate,sodium decane-1-sulphonate,ipc-alks-10,n-decylsulfonic acid, sodium salt,1-decanesulphonic acid, sodium salt,2-decanesulfonic acid, sodium salt |
| IUPAC Name | sodium;decane-1-sulfonate |
| InChI Key | AIMUHNZKNFEZSN-UHFFFAOYSA-M |
| Molecular Formula | C10H21NaO3S |
Methyl propionate, 99%
CAS: 554-12-1 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.106 MDL Number: MFCD00009306 InChI Key: RJUFJBKOKNCXHH-UHFFFAOYSA-N Synonym: methyl propionate,propanoic acid, methyl ester,methyl propylate,methylpropionate,propionic acid, methyl ester,propionate de methyle,propanoic acid methyl ester,fema number 2742,propionic acid methyl ester,methyl propionate natural PubChem CID: 11124 IUPAC Name: methyl propanoate SMILES: CCC(=O)OC
| PubChem CID | 11124 |
|---|---|
| CAS | 554-12-1 |
| Molecular Weight (g/mol) | 88.106 |
| MDL Number | MFCD00009306 |
| SMILES | CCC(=O)OC |
| Synonym | methyl propionate,propanoic acid, methyl ester,methyl propylate,methylpropionate,propionic acid, methyl ester,propionate de methyle,propanoic acid methyl ester,fema number 2742,propionic acid methyl ester,methyl propionate natural |
| IUPAC Name | methyl propanoate |
| InChI Key | RJUFJBKOKNCXHH-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2 |
2-Propylpentanoic acid, 99%
CAS: 99-66-1 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00002672 InChI Key: NIJJYAXOARWZEE-UHFFFAOYSA-N Synonym: valproic acid,dipropylacetic acid,depakene,depakine,2-propylvaleric acid,ergenyl,di-n-propylacetic acid,valproate,mylproin,pentanoic acid, 2-propyl PubChem CID: 3121 ChEBI: CHEBI:39867 IUPAC Name: 2-propylpentanoic acid SMILES: CCCC(CCC)C(O)=O
| PubChem CID | 3121 |
|---|---|
| CAS | 99-66-1 |
| Molecular Weight (g/mol) | 144.21 |
| ChEBI | CHEBI:39867 |
| MDL Number | MFCD00002672 |
| SMILES | CCCC(CCC)C(O)=O |
| Synonym | valproic acid,dipropylacetic acid,depakene,depakine,2-propylvaleric acid,ergenyl,di-n-propylacetic acid,valproate,mylproin,pentanoic acid, 2-propyl |
| IUPAC Name | 2-propylpentanoic acid |
| InChI Key | NIJJYAXOARWZEE-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |