Organic acids and derivatives
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Sodium n-octyl sulfate, 99%
CAS: 142-31-4 Molecular Formula: C8H17NaO4S Molecular Weight (g/mol): 232.27 MDL Number: MFCD00007470 InChI Key: WFRKJMRGXGWHBM-UHFFFAOYSA-M Synonym: sodium octyl sulfate,sodium n-octyl sulfate,sodium octyl sulphate,sipex ols,cycloryl os,duponol 80,sodium capryl sulfate,octyl sodium sulfate,sulfuric acid, monooctyl ester, sodium salt,octyl sulfate sodium salt PubChem CID: 2735107 IUPAC Name: sodium;octyl sulfate SMILES: CCCCCCCCOS(=O)(=O)[O-].[Na+]
| PubChem CID | 2735107 |
|---|---|
| CAS | 142-31-4 |
| Molecular Weight (g/mol) | 232.27 |
| MDL Number | MFCD00007470 |
| SMILES | CCCCCCCCOS(=O)(=O)[O-].[Na+] |
| Synonym | sodium octyl sulfate,sodium n-octyl sulfate,sodium octyl sulphate,sipex ols,cycloryl os,duponol 80,sodium capryl sulfate,octyl sodium sulfate,sulfuric acid, monooctyl ester, sodium salt,octyl sulfate sodium salt |
| IUPAC Name | sodium;octyl sulfate |
| InChI Key | WFRKJMRGXGWHBM-UHFFFAOYSA-M |
| Molecular Formula | C8H17NaO4S |
Sodium hydrogen L-tartrate, anhydrous, 98%
CAS: 526-94-3 Molecular Formula: C4H5NaO6 Molecular Weight (g/mol): 172.07 MDL Number: MFCD00065393,MFCD00065393 InChI Key: NKAAEMMYHLFEFN-UHFFFAOYNA-M Synonym: sodium bitartrate,monosodium tartrate,sodium hydrogen tartrate,natriumtartrat german,sodium 3-carboxy-2,3-dihydroxypropanoate,monobasic sodium tartrate,monosodium l-+-tartrate,tartaric acid, monosodium salt,natrium hydrogen-2r,3r-tartrat,weinstein PubChem CID: 23690454 IUPAC Name: sodium;2,3,4-trihydroxy-4-oxobutanoate SMILES: [Na+].OC(C(O)C([O-])=O)C(O)=O
| PubChem CID | 23690454 |
|---|---|
| CAS | 526-94-3 |
| Molecular Weight (g/mol) | 172.07 |
| MDL Number | MFCD00065393,MFCD00065393 |
| SMILES | [Na+].OC(C(O)C([O-])=O)C(O)=O |
| Synonym | sodium bitartrate,monosodium tartrate,sodium hydrogen tartrate,natriumtartrat german,sodium 3-carboxy-2,3-dihydroxypropanoate,monobasic sodium tartrate,monosodium l-+-tartrate,tartaric acid, monosodium salt,natrium hydrogen-2r,3r-tartrat,weinstein |
| IUPAC Name | sodium;2,3,4-trihydroxy-4-oxobutanoate |
| InChI Key | NKAAEMMYHLFEFN-UHFFFAOYNA-M |
| Molecular Formula | C4H5NaO6 |
Sodium 1-heptanesulfonate monohydrate, 99%
CAS: 207300-90-1 Molecular Formula: C7H17NaO4S Molecular Weight (g/mol): 220.259 MDL Number: MFCD00149550 InChI Key: XWZCREJRXRKIRQ-UHFFFAOYSA-M Synonym: sodium heptane-1-sulfonate hydrate,1-heptanesulfonic acid sodium salt monohydrate,sodium 1-heptanesulfonate monohydrate,sodium 1-heptanesulfonate hydrate,sodium1-heptanesulfonatemonohydrate,potassium heptane-1-sulfonate hydrate,sodium heptane-1-sulfonate-water 1/1/1,sodium 1-heptanesulfonate monohydrate t,sodium 1-heptanesulfonate monohydrate, for hplc PubChem CID: 23687711 IUPAC Name: sodium;heptane-1-sulfonate;hydrate SMILES: CCCCCCCS(=O)(=O)[O-].O.[Na+]
| PubChem CID | 23687711 |
|---|---|
| CAS | 207300-90-1 |
| Molecular Weight (g/mol) | 220.259 |
| MDL Number | MFCD00149550 |
| SMILES | CCCCCCCS(=O)(=O)[O-].O.[Na+] |
| Synonym | sodium heptane-1-sulfonate hydrate,1-heptanesulfonic acid sodium salt monohydrate,sodium 1-heptanesulfonate monohydrate,sodium 1-heptanesulfonate hydrate,sodium1-heptanesulfonatemonohydrate,potassium heptane-1-sulfonate hydrate,sodium heptane-1-sulfonate-water 1/1/1,sodium 1-heptanesulfonate monohydrate t,sodium 1-heptanesulfonate monohydrate, for hplc |
| IUPAC Name | sodium;heptane-1-sulfonate;hydrate |
| InChI Key | XWZCREJRXRKIRQ-UHFFFAOYSA-M |
| Molecular Formula | C7H17NaO4S |
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 |
Isobutyl acetate, 98%
CAS: 110-19-0 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00008932 InChI Key: GJRQTCIYDGXPES-UHFFFAOYSA-N Synonym: isobutyl acetate,isobutyl ethanoate,acetic acid, 2-methylpropyl ester,2-methyl-1-propyl acetate,2-methylpropyl ethanoate,acetic acid, isobutyl ester,acetic acid isobutyl ester,acetate d'isobutyle,iso-butyl acetate,beta-methylpropyl ethanoate PubChem CID: 8038 ChEBI: CHEBI:50569 IUPAC Name: 2-methylpropyl acetate SMILES: CC(C)COC(C)=O
| PubChem CID | 8038 |
|---|---|
| CAS | 110-19-0 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:50569 |
| MDL Number | MFCD00008932 |
| SMILES | CC(C)COC(C)=O |
| Synonym | isobutyl acetate,isobutyl ethanoate,acetic acid, 2-methylpropyl ester,2-methyl-1-propyl acetate,2-methylpropyl ethanoate,acetic acid, isobutyl ester,acetic acid isobutyl ester,acetate d'isobutyle,iso-butyl acetate,beta-methylpropyl ethanoate |
| IUPAC Name | 2-methylpropyl acetate |
| InChI Key | GJRQTCIYDGXPES-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
Tripotassium citrate monohydrate, 97%
CAS: 6100-05-6 Molecular Formula: C6H7K3O8 Molecular Weight (g/mol): 324.41 MDL Number: MFCD00150442 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) | 324.41 |
| ChEBI | CHEBI:64746 |
| MDL Number | MFCD00150442 |
| 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 | C6H7K3O8 |
Sulfuric acid, for analysis, ca. 96% solution in water
CAS: 7664-93-9 Molecular Formula: H2O4S Molecular Weight (g/mol): 98.07 MDL Number: MFCD00064589 InChI Key: QAOWNCQODCNURD-UHFFFAOYSA-N Synonym: oil of vitriol,sulphuric acid,dihydrogen sulfate,mattling acid,battery acid,dipping acid,acide sulfurique,electrolyte acid,acidum sulfuricum,vitriol brown oil PubChem CID: 1118 ChEBI: CHEBI:26836 IUPAC Name: sulfuric acid SMILES: OS(O)(=O)=O
| PubChem CID | 1118 |
|---|---|
| CAS | 7664-93-9 |
| Molecular Weight (g/mol) | 98.07 |
| ChEBI | CHEBI:26836 |
| MDL Number | MFCD00064589 |
| SMILES | OS(O)(=O)=O |
| Synonym | oil of vitriol,sulphuric acid,dihydrogen sulfate,mattling acid,battery acid,dipping acid,acide sulfurique,electrolyte acid,acidum sulfuricum,vitriol brown oil |
| IUPAC Name | sulfuric acid |
| InChI Key | QAOWNCQODCNURD-UHFFFAOYSA-N |
| Molecular Formula | H2O4S |
Valeramide, 97%
CAS: 626-97-1 Molecular Formula: C5H11NO Molecular Weight (g/mol): 101.149 MDL Number: MFCD00041895 InChI Key: IPWFJLQDVFKJDU-UHFFFAOYSA-N Synonym: valeramide,n-valeramide,pentanimidic acid,unii-tkl9tn43qk,tkl9tn43qk,ksc353i5p,ipwfjlqdvfkjdu-uhfffaoysa,valeramide, pharmaceutical impurity standard PubChem CID: 12298 ChEBI: CHEBI:16459 IUPAC Name: pentanamide SMILES: CCCCC(=O)N
| PubChem CID | 12298 |
|---|---|
| CAS | 626-97-1 |
| Molecular Weight (g/mol) | 101.149 |
| ChEBI | CHEBI:16459 |
| MDL Number | MFCD00041895 |
| SMILES | CCCCC(=O)N |
| Synonym | valeramide,n-valeramide,pentanimidic acid,unii-tkl9tn43qk,tkl9tn43qk,ksc353i5p,ipwfjlqdvfkjdu-uhfffaoysa,valeramide, pharmaceutical impurity standard |
| IUPAC Name | pentanamide |
| InChI Key | IPWFJLQDVFKJDU-UHFFFAOYSA-N |
| Molecular Formula | C5H11NO |
Dimethyl Carbonate 98.0+%, TCI America™
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CAS: 616-38-6 Molecular Formula: C3H6O3 Molecular Weight (g/mol): 90.08 MDL Number: MFCD00008420 InChI Key: IEJIGPNLZYLLBP-UHFFFAOYSA-N Synonym: methyl carbonate,carbonic acid, dimethyl ester,carbonic acid dimethyl ester,methyl carbonate meo 2co,unii-ke9j097spn,dimethylcarbonate,ch3ocooch3,ke9j097spn,dimethyl ester of carbonic acid,dsstox_cid_9192 PubChem CID: 12021 ChEBI: CHEBI:36596 IUPAC Name: dimethyl carbonate SMILES: COC(=O)OC
| PubChem CID | 12021 |
|---|---|
| CAS | 616-38-6 |
| Molecular Weight (g/mol) | 90.08 |
| ChEBI | CHEBI:36596 |
| MDL Number | MFCD00008420 |
| SMILES | COC(=O)OC |
| Synonym | methyl carbonate,carbonic acid, dimethyl ester,carbonic acid dimethyl ester,methyl carbonate meo 2co,unii-ke9j097spn,dimethylcarbonate,ch3ocooch3,ke9j097spn,dimethyl ester of carbonic acid,dsstox_cid_9192 |
| IUPAC Name | dimethyl carbonate |
| InChI Key | IEJIGPNLZYLLBP-UHFFFAOYSA-N |
| Molecular Formula | C3H6O3 |
Benzenesulfonic acid, 94%
CAS: 98-11-3 Molecular Formula: C6H6O3S Molecular Weight (g/mol): 158.171 MDL Number: MFCD00011689 InChI Key: SRSXLGNVWSONIS-UHFFFAOYSA-N Synonym: benzenesulphonic acid,phenylsulfonic acid,besylic acid,benzene sulphonic acid,benzenemonosulfonic acid,benzene sulfonic acid,kyselina benzensulfonova,benzensulfonic acid,ccris 4595,kyselina benzensulfonova czech PubChem CID: 7371 ChEBI: CHEBI:64455 IUPAC Name: benzenesulfonic acid SMILES: C1=CC=C(C=C1)S(=O)(=O)O
| PubChem CID | 7371 |
|---|---|
| CAS | 98-11-3 |
| Molecular Weight (g/mol) | 158.171 |
| ChEBI | CHEBI:64455 |
| MDL Number | MFCD00011689 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)O |
| Synonym | benzenesulphonic acid,phenylsulfonic acid,besylic acid,benzene sulphonic acid,benzenemonosulfonic acid,benzene sulfonic acid,kyselina benzensulfonova,benzensulfonic acid,ccris 4595,kyselina benzensulfonova czech |
| IUPAC Name | benzenesulfonic acid |
| InChI Key | SRSXLGNVWSONIS-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3S |
1,3-Dimethylurea, 98%
CAS: 96-31-1 Molecular Formula: C3H8N2O Molecular Weight (g/mol): 88.11 MDL Number: MFCD00008286 InChI Key: MGJKQDOBUOMPEZ-UHFFFAOYSA-N Synonym: n,n'-dimethylurea,sym-dimethylurea,urea, n,n'-dimethyl,dimethylurea,symmetric dimethylurea,urea, 1,3-dimethyl,n,n'-dimethylharnstoff,1,3-dimethyl urea,n,n'-dimethylharnstoff german,unii-wam6dr9i4x PubChem CID: 7293 ChEBI: CHEBI:80472 IUPAC Name: 1,3-dimethylurea SMILES: CNC(=O)NC
| PubChem CID | 7293 |
|---|---|
| CAS | 96-31-1 |
| Molecular Weight (g/mol) | 88.11 |
| ChEBI | CHEBI:80472 |
| MDL Number | MFCD00008286 |
| SMILES | CNC(=O)NC |
| Synonym | n,n'-dimethylurea,sym-dimethylurea,urea, n,n'-dimethyl,dimethylurea,symmetric dimethylurea,urea, 1,3-dimethyl,n,n'-dimethylharnstoff,1,3-dimethyl urea,n,n'-dimethylharnstoff german,unii-wam6dr9i4x |
| IUPAC Name | 1,3-dimethylurea |
| InChI Key | MGJKQDOBUOMPEZ-UHFFFAOYSA-N |
| Molecular Formula | C3H8N2O |
Diisopropyl bromomethylphosphonate, 97%
CAS: 98432-80-5 Molecular Formula: C7H16BrO3P Molecular Weight (g/mol): 259.08 MDL Number: MFCD00236036 InChI Key: JNONGIUWXHOEEN-UHFFFAOYSA-N Synonym: diisopropyl bromomethylphosphonate,bromomethylphosphonic acid diisopropyl ester,diisopropyl bromomethyl phosphonate,bromomethylphosphonate diisopropyl ester,2-bromomethyl propan-2-yloxy phosphoryl oxypropane PubChem CID: 4366885 IUPAC Name: 2-[bromomethyl(propan-2-yloxy)phosphoryl]oxypropane SMILES: CC(C)OP(=O)(CBr)OC(C)C
| PubChem CID | 4366885 |
|---|---|
| CAS | 98432-80-5 |
| Molecular Weight (g/mol) | 259.08 |
| MDL Number | MFCD00236036 |
| SMILES | CC(C)OP(=O)(CBr)OC(C)C |
| Synonym | diisopropyl bromomethylphosphonate,bromomethylphosphonic acid diisopropyl ester,diisopropyl bromomethyl phosphonate,bromomethylphosphonate diisopropyl ester,2-bromomethyl propan-2-yloxy phosphoryl oxypropane |
| IUPAC Name | 2-[bromomethyl(propan-2-yloxy)phosphoryl]oxypropane |
| InChI Key | JNONGIUWXHOEEN-UHFFFAOYSA-N |
| Molecular Formula | C7H16BrO3P |
Diethyl 2-bromoethylphosphonate, 97%
CAS: 5324-30-1 Molecular Formula: C6H14BrO3P Molecular Weight (g/mol): 245.05 MDL Number: MFCD00000239 InChI Key: PINITSMLVXAASM-UHFFFAOYSA-N Synonym: diethyl 2-bromoethyl phosphonate,diethyl 2-bromoethylphosphonate,phosphonic acid, 2-bromoethyl-, diethyl ester,2-bromoethyl phosphonic acid diethyl ester,o,o-diethyl 2-bromoethyl phosphonate,diethyl bromoethylphosphonate,diethyl-2-bromoethyl-phosphonate,pinitsmlvxaasm-uhfffaoysa,diethyl-2-bromoethyl phosphonate PubChem CID: 79218 IUPAC Name: 1-bromo-2-diethoxyphosphorylethane SMILES: CCOP(=O)(CCBr)OCC
| PubChem CID | 79218 |
|---|---|
| CAS | 5324-30-1 |
| Molecular Weight (g/mol) | 245.05 |
| MDL Number | MFCD00000239 |
| SMILES | CCOP(=O)(CCBr)OCC |
| Synonym | diethyl 2-bromoethyl phosphonate,diethyl 2-bromoethylphosphonate,phosphonic acid, 2-bromoethyl-, diethyl ester,2-bromoethyl phosphonic acid diethyl ester,o,o-diethyl 2-bromoethyl phosphonate,diethyl bromoethylphosphonate,diethyl-2-bromoethyl-phosphonate,pinitsmlvxaasm-uhfffaoysa,diethyl-2-bromoethyl phosphonate |
| IUPAC Name | 1-bromo-2-diethoxyphosphorylethane |
| InChI Key | PINITSMLVXAASM-UHFFFAOYSA-N |
| Molecular Formula | C6H14BrO3P |
1-Pentanesulfonic acid, sodium salt, 99+%, Ion pair chromatography, anhydrous
CAS: 22767-49-3 Molecular Formula: C5H11NaO3S Molecular Weight (g/mol): 174.19 MDL Number: MFCD00007541,MFCD00149548 InChI Key: ROBLTDOHDSGGDT-UHFFFAOYSA-M Synonym: sodium 1-pentanesulfonate,sodium pentane-1-sulfonate,sodium pentanesulfonate,1-pentanesulfonic acid sodium salt,1-pentanesulfonic acid, sodium salt,1-pentylsodiumsulfonate,ipc-alks-5,1-pentanesulfonate, sodium,pentanesulfonic acid na-salt,pentanesulfonic acidsodiumsalt PubChem CID: 23664617 IUPAC Name: sodium;pentane-1-sulfonate SMILES: [Na+].CCCCCS([O-])(=O)=O
| PubChem CID | 23664617 |
|---|---|
| CAS | 22767-49-3 |
| Molecular Weight (g/mol) | 174.19 |
| MDL Number | MFCD00007541,MFCD00149548 |
| SMILES | [Na+].CCCCCS([O-])(=O)=O |
| Synonym | sodium 1-pentanesulfonate,sodium pentane-1-sulfonate,sodium pentanesulfonate,1-pentanesulfonic acid sodium salt,1-pentanesulfonic acid, sodium salt,1-pentylsodiumsulfonate,ipc-alks-5,1-pentanesulfonate, sodium,pentanesulfonic acid na-salt,pentanesulfonic acidsodiumsalt |
| IUPAC Name | sodium;pentane-1-sulfonate |
| InChI Key | ROBLTDOHDSGGDT-UHFFFAOYSA-M |
| Molecular Formula | C5H11NaO3S |
N,N-Diethylnicotinamide, 97%
CAS: 59-26-7 Molecular Formula: C10H14N2O Molecular Weight (g/mol): 178.23 MDL Number: MFCD00006386 InChI Key: NCYVXEGFNDZQCU-UHFFFAOYSA-N Synonym: nikethamide,n,n-diethylnicotinamide,nicethamide,corvin,anacardone,anacordone,carbamidal,coramine,corvotone,nicamide PubChem CID: 5497 IUPAC Name: N,N-diethylpyridine-3-carboxamide SMILES: CCN(CC)C(=O)C1=CN=CC=C1
| PubChem CID | 5497 |
|---|---|
| CAS | 59-26-7 |
| Molecular Weight (g/mol) | 178.23 |
| MDL Number | MFCD00006386 |
| SMILES | CCN(CC)C(=O)C1=CN=CC=C1 |
| Synonym | nikethamide,n,n-diethylnicotinamide,nicethamide,corvin,anacardone,anacordone,carbamidal,coramine,corvotone,nicamide |
| IUPAC Name | N,N-diethylpyridine-3-carboxamide |
| InChI Key | NCYVXEGFNDZQCU-UHFFFAOYSA-N |
| Molecular Formula | C10H14N2O |