Organic acids and derivatives
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Diphenyl phosphate, 99%
CAS: 838-85-7 Molecular Formula: C12H11O4P Molecular Weight (g/mol): 250.19 MDL Number: MFCD00003033 InChI Key: ASMQGLCHMVWBQR-UHFFFAOYSA-N Synonym: diphenyl phosphate,phosphoric acid, diphenyl ester,phenyl hydrogen phosphate,phenyl phosphate pho 2 ho po,diphenoxyphosphinic acid,phosphoric acid diphenyl ester,diphenylphosphoric acid,phosphoric acid diphenyl,dsstox_cid_28182 PubChem CID: 13282 IUPAC Name: diphenyl hydrogen phosphate SMILES: OP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1
| PubChem CID | 13282 |
|---|---|
| CAS | 838-85-7 |
| Molecular Weight (g/mol) | 250.19 |
| MDL Number | MFCD00003033 |
| SMILES | OP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1 |
| Synonym | diphenyl phosphate,phosphoric acid, diphenyl ester,phenyl hydrogen phosphate,phenyl phosphate pho 2 ho po,diphenoxyphosphinic acid,phosphoric acid diphenyl ester,diphenylphosphoric acid,phosphoric acid diphenyl,dsstox_cid_28182 |
| IUPAC Name | diphenyl hydrogen phosphate |
| InChI Key | ASMQGLCHMVWBQR-UHFFFAOYSA-N |
| Molecular Formula | C12H11O4P |
Ethyl trans-4-bromocinnamate, 98%
CAS: 24393-53-1 Molecular Formula: C11H11BrO2 Molecular Weight (g/mol): 255.111 MDL Number: MFCD00012226 InChI Key: YOOKYIPLSLPRTC-VMPITWQZSA-N Synonym: ethyl trans-4-bromocinnamate,e-ethyl 3-4-bromophenyl acrylate,ethyl 3-4-bromophenyl acrylate,2-propenoic acid, 3-4-bromophenyl-, ethyl ester,ethyl 2e-3-4-bromophenyl prop-2-enoate,2-propenoic acid, 3-4-bromophenyl-, ethyl ester, 2e,ethyl p-bromocinnamate,ethyl e-4-bromocinnamate,ethyl-trans-4-bromocinnamate,4-bromocinnamic acid ethyl ester PubChem CID: 688115 IUPAC Name: ethyl (E)-3-(4-bromophenyl)prop-2-enoate SMILES: CCOC(=O)C=CC1=CC=C(C=C1)Br
| PubChem CID | 688115 |
|---|---|
| CAS | 24393-53-1 |
| Molecular Weight (g/mol) | 255.111 |
| MDL Number | MFCD00012226 |
| SMILES | CCOC(=O)C=CC1=CC=C(C=C1)Br |
| Synonym | ethyl trans-4-bromocinnamate,e-ethyl 3-4-bromophenyl acrylate,ethyl 3-4-bromophenyl acrylate,2-propenoic acid, 3-4-bromophenyl-, ethyl ester,ethyl 2e-3-4-bromophenyl prop-2-enoate,2-propenoic acid, 3-4-bromophenyl-, ethyl ester, 2e,ethyl p-bromocinnamate,ethyl e-4-bromocinnamate,ethyl-trans-4-bromocinnamate,4-bromocinnamic acid ethyl ester |
| IUPAC Name | ethyl (E)-3-(4-bromophenyl)prop-2-enoate |
| InChI Key | YOOKYIPLSLPRTC-VMPITWQZSA-N |
| Molecular Formula | C11H11BrO2 |
2,6-Dimethoxybenzeneboronic acid, 97+%
CAS: 23112-96-1 Molecular Formula: C8H11BO4 Molecular Weight (g/mol): 181.982 MDL Number: MFCD01318987 InChI Key: BKWVXPCYDRURMK-UHFFFAOYSA-N Synonym: 2,6-dimethoxyphenyl boronic acid,2,6-dimethoxyphenylboronicacid,2,6-dimethoxybenzeneboronic acid,2,6-dimethoxyphenyl-boronic acid,2,6-dimethoxyphenyl boranediol,boronic acid, 2,6-dimethoxyphenyl,pubchem1825,acmc-1clhv,ksc201q0f,2,6-dimethoxy-phenylboronic acid PubChem CID: 2734343 IUPAC Name: (2,6-dimethoxyphenyl)boronic acid SMILES: B(C1=C(C=CC=C1OC)OC)(O)O
| PubChem CID | 2734343 |
|---|---|
| CAS | 23112-96-1 |
| Molecular Weight (g/mol) | 181.982 |
| MDL Number | MFCD01318987 |
| SMILES | B(C1=C(C=CC=C1OC)OC)(O)O |
| Synonym | 2,6-dimethoxyphenyl boronic acid,2,6-dimethoxyphenylboronicacid,2,6-dimethoxybenzeneboronic acid,2,6-dimethoxyphenyl-boronic acid,2,6-dimethoxyphenyl boranediol,boronic acid, 2,6-dimethoxyphenyl,pubchem1825,acmc-1clhv,ksc201q0f,2,6-dimethoxy-phenylboronic acid |
| IUPAC Name | (2,6-dimethoxyphenyl)boronic acid |
| InChI Key | BKWVXPCYDRURMK-UHFFFAOYSA-N |
| Molecular Formula | C8H11BO4 |
Methyl pyrrole-2-carboxylate, 97%, Thermo Scientific Chemicals
CAS: 1193-62-0 Molecular Formula: C6H7NO2 Molecular Weight (g/mol): 125.127 MDL Number: MFCD00817048 InChI Key: VONGYFFEWFJHNP-UHFFFAOYSA-N Synonym: methyl pyrrole-2-carboxylate,methyl 2-pyrrolecarboxylate,1h-pyrrole-2-carboxylic acid, methyl ester,unii-3beg2ck3lu,pyrrole-2-carboxylic acid methyl ester,methyl1h-pyrrole-2-carboxylate,3beg2ck3lu,1h-pyrrole-2-carboxylic acid,methyl ester,pubchem9141,acmc-1bsa1 PubChem CID: 136930 IUPAC Name: methyl 1H-pyrrole-2-carboxylate SMILES: COC(=O)C1=CC=CN1
| PubChem CID | 136930 |
|---|---|
| CAS | 1193-62-0 |
| Molecular Weight (g/mol) | 125.127 |
| MDL Number | MFCD00817048 |
| SMILES | COC(=O)C1=CC=CN1 |
| Synonym | methyl pyrrole-2-carboxylate,methyl 2-pyrrolecarboxylate,1h-pyrrole-2-carboxylic acid, methyl ester,unii-3beg2ck3lu,pyrrole-2-carboxylic acid methyl ester,methyl1h-pyrrole-2-carboxylate,3beg2ck3lu,1h-pyrrole-2-carboxylic acid,methyl ester,pubchem9141,acmc-1bsa1 |
| IUPAC Name | methyl 1H-pyrrole-2-carboxylate |
| InChI Key | VONGYFFEWFJHNP-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO2 |
Croconic acid disodium salt, 97%
CAS: 14379-00-1 Molecular Formula: C5Na2O5 Molecular Weight (g/mol): 186.03 MDL Number: MFCD00191954 InChI Key: OQXLFPHHAAAVKQ-UHFFFAOYSA-L Synonym: croconic acid disodium salt,croconic acid, disodium salt,disodium trioxocyclopent-1-ene-1,2-bis olate,sodium 3,4,5-trioxocyclopent-1-ene-1,2-bis olate,4,5-dihydroxy-4-cyclopentene-1,2,3-trione disodium salt PubChem CID: 12120285 IUPAC Name: disodium;3,4,5-trioxocyclopentene-1,2-diolate SMILES: [Na+].[Na+].[O-]C1=C([O-])C(=O)C(=O)C1=O
| PubChem CID | 12120285 |
|---|---|
| CAS | 14379-00-1 |
| Molecular Weight (g/mol) | 186.03 |
| MDL Number | MFCD00191954 |
| SMILES | [Na+].[Na+].[O-]C1=C([O-])C(=O)C(=O)C1=O |
| Synonym | croconic acid disodium salt,croconic acid, disodium salt,disodium trioxocyclopent-1-ene-1,2-bis olate,sodium 3,4,5-trioxocyclopent-1-ene-1,2-bis olate,4,5-dihydroxy-4-cyclopentene-1,2,3-trione disodium salt |
| IUPAC Name | disodium;3,4,5-trioxocyclopentene-1,2-diolate |
| InChI Key | OQXLFPHHAAAVKQ-UHFFFAOYSA-L |
| Molecular Formula | C5Na2O5 |
3-Hydroxybenzhydrazide, 98+%
CAS: 5818-06-4 MDL Number: MFCD00014759 ChEBI: CHEBI:39411
| CAS | 5818-06-4 |
|---|---|
| ChEBI | CHEBI:39411 |
| MDL Number | MFCD00014759 |
Phenylphosphonic acid, 98%, Thermo Scientific Chemicals
CAS: 1571-33-1 Molecular Formula: C6H7O3P Molecular Weight (g/mol): 158.09 MDL Number: MFCD00002136 InChI Key: QLZHNIAADXEJJP-UHFFFAOYSA-N Synonym: benzenephosphonic acid,phosphonic acid, phenyl,phenyl-phosphonic acid,phosphonic acid, p-phenyl,phenyl phosphonic acid,unii-byd76t2868,sv7,pubchem21303,phosphonic acid,phenyl,wln: qpqo&r PubChem CID: 15295 IUPAC Name: phenylphosphonic acid SMILES: OP(O)(=O)C1=CC=CC=C1
| PubChem CID | 15295 |
|---|---|
| CAS | 1571-33-1 |
| Molecular Weight (g/mol) | 158.09 |
| MDL Number | MFCD00002136 |
| SMILES | OP(O)(=O)C1=CC=CC=C1 |
| Synonym | benzenephosphonic acid,phosphonic acid, phenyl,phenyl-phosphonic acid,phosphonic acid, p-phenyl,phenyl phosphonic acid,unii-byd76t2868,sv7,pubchem21303,phosphonic acid,phenyl,wln: qpqo&r |
| IUPAC Name | phenylphosphonic acid |
| InChI Key | QLZHNIAADXEJJP-UHFFFAOYSA-N |
| Molecular Formula | C6H7O3P |
2-(Propylthio)pyridine-3-carbonyl chloride, 97%, Thermo Scientific™
CAS: 175135-24-7 Molecular Formula: C9H10ClNOS Molecular Weight (g/mol): 215.70 MDL Number: MFCD00052656 InChI Key: FTEUTJYYROCUBI-UHFFFAOYSA-N Synonym: 2-propylthio pyridine-3-carbonyl chloride,2-propylsulfanyl pyridine-3-carbonyl chloride,2-propylthio nicotinoyl chloride,2-propylthiopyridine-3-carbonyl chloride,3-pyridinecarbonylchloride, 2-propylthio,2-propylthio pyridine-3-carbonylchloride PubChem CID: 2774530 IUPAC Name: 2-propylsulfanylpyridine-3-carbonyl chloride SMILES: CCCSC1=C(C=CC=N1)C(Cl)=O
| PubChem CID | 2774530 |
|---|---|
| CAS | 175135-24-7 |
| Molecular Weight (g/mol) | 215.70 |
| MDL Number | MFCD00052656 |
| SMILES | CCCSC1=C(C=CC=N1)C(Cl)=O |
| Synonym | 2-propylthio pyridine-3-carbonyl chloride,2-propylsulfanyl pyridine-3-carbonyl chloride,2-propylthio nicotinoyl chloride,2-propylthiopyridine-3-carbonyl chloride,3-pyridinecarbonylchloride, 2-propylthio,2-propylthio pyridine-3-carbonylchloride |
| IUPAC Name | 2-propylsulfanylpyridine-3-carbonyl chloride |
| InChI Key | FTEUTJYYROCUBI-UHFFFAOYSA-N |
| Molecular Formula | C9H10ClNOS |
Sodium trifluoromethanesulfonate, 98%
CAS: 2926-30-9 Molecular Formula: CF3NaO3S Molecular Weight (g/mol): 172.05 MDL Number: MFCD00061607 InChI Key: XGPOMXSYOKFBHS-UHFFFAOYSA-M Synonym: sodium trifluoromethanesulfonate,sodium triflate,trifluoromethanesulfonic acid sodium salt,sodium trifluoro methane sulfonate,methanesulfonic acid, trifluoro-, sodium salt,pubchem23598,cf3so3na,acmc-1cfau,sodiumtrifluoromethanesulfonate,ksc491a1d PubChem CID: 23676748 IUPAC Name: sodium;trifluoromethanesulfonate SMILES: C(F)(F)(F)S(=O)(=O)[O-].[Na+]
| PubChem CID | 23676748 |
|---|---|
| CAS | 2926-30-9 |
| Molecular Weight (g/mol) | 172.05 |
| MDL Number | MFCD00061607 |
| SMILES | C(F)(F)(F)S(=O)(=O)[O-].[Na+] |
| Synonym | sodium trifluoromethanesulfonate,sodium triflate,trifluoromethanesulfonic acid sodium salt,sodium trifluoro methane sulfonate,methanesulfonic acid, trifluoro-, sodium salt,pubchem23598,cf3so3na,acmc-1cfau,sodiumtrifluoromethanesulfonate,ksc491a1d |
| IUPAC Name | sodium;trifluoromethanesulfonate |
| InChI Key | XGPOMXSYOKFBHS-UHFFFAOYSA-M |
| Molecular Formula | CF3NaO3S |
1,3-Bis(hydroxymethyl)urea, tech. 90%
CAS: 140-95-4 Molecular Formula: C3H8N2O3 Molecular Weight (g/mol): 120.11 MDL Number: MFCD00014414 InChI Key: QUBQYFYWUJJAAK-UHFFFAOYSA-N Synonym: 1,3-bis hydroxymethyl urea,dimethylolurea,oxymethurea,n,n'-dimethylolurea,methural,carbamol,caurite,metural,urofix,protesine dmu PubChem CID: 8827 IUPAC Name: 1,3-bis(hydroxymethyl)urea SMILES: OCNC(=O)NCO
| PubChem CID | 8827 |
|---|---|
| CAS | 140-95-4 |
| Molecular Weight (g/mol) | 120.11 |
| MDL Number | MFCD00014414 |
| SMILES | OCNC(=O)NCO |
| Synonym | 1,3-bis hydroxymethyl urea,dimethylolurea,oxymethurea,n,n'-dimethylolurea,methural,carbamol,caurite,metural,urofix,protesine dmu |
| IUPAC Name | 1,3-bis(hydroxymethyl)urea |
| InChI Key | QUBQYFYWUJJAAK-UHFFFAOYSA-N |
| Molecular Formula | C3H8N2O3 |
Sodium 1-pentanesulfonate, 99% (dry wt.), water <1.5%
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 |
2-Iodoacetamide, 98%, stab. with ca 5-8% water
CAS: 144-48-9 Molecular Formula: C2H4INO Molecular Weight (g/mol): 184.964 MDL Number: MFCD00008028 InChI Key: PGLTVOMIXTUURA-UHFFFAOYSA-N Synonym: iodoacetamide,monoiodoacetamide,surauto,acetamide, 2-iodo,2-iodo-acetamide,usaf d-1,alpha-iodoacetamide,ccris 7710,unii-zrh8m27s79,n-3-methoxy-4-butoxybenzyl thiobarbituric acid PubChem CID: 3727 IUPAC Name: 2-iodoacetamide SMILES: C(C(=O)N)I
| PubChem CID | 3727 |
|---|---|
| CAS | 144-48-9 |
| Molecular Weight (g/mol) | 184.964 |
| MDL Number | MFCD00008028 |
| SMILES | C(C(=O)N)I |
| Synonym | iodoacetamide,monoiodoacetamide,surauto,acetamide, 2-iodo,2-iodo-acetamide,usaf d-1,alpha-iodoacetamide,ccris 7710,unii-zrh8m27s79,n-3-methoxy-4-butoxybenzyl thiobarbituric acid |
| IUPAC Name | 2-iodoacetamide |
| InChI Key | PGLTVOMIXTUURA-UHFFFAOYSA-N |
| Molecular Formula | C2H4INO |
1-Formylpiperidine, 99%
CAS: 2591-86-8 Molecular Formula: C6H11NO Molecular Weight (g/mol): 113.16 MDL Number: MFCD00006483 InChI Key: FEWLNYSYJNLUOO-UHFFFAOYSA-N Synonym: n-formylpiperidine,1-formylpiperidine,1-piperidinecarboxaldehyde,formylpiperidine,n-formylpiperidin,piperidinoformamide,piperidine-n-carbaldehyde,piperidine, 1-formyl,1-piperidinecarbaldehyde,unii-ziq29h6czg PubChem CID: 17429 ChEBI: CHEBI:42546 IUPAC Name: piperidine-1-carbaldehyde SMILES: C1CCN(CC1)C=O
| PubChem CID | 17429 |
|---|---|
| CAS | 2591-86-8 |
| Molecular Weight (g/mol) | 113.16 |
| ChEBI | CHEBI:42546 |
| MDL Number | MFCD00006483 |
| SMILES | C1CCN(CC1)C=O |
| Synonym | n-formylpiperidine,1-formylpiperidine,1-piperidinecarboxaldehyde,formylpiperidine,n-formylpiperidin,piperidinoformamide,piperidine-n-carbaldehyde,piperidine, 1-formyl,1-piperidinecarbaldehyde,unii-ziq29h6czg |
| IUPAC Name | piperidine-1-carbaldehyde |
| InChI Key | FEWLNYSYJNLUOO-UHFFFAOYSA-N |
| Molecular Formula | C6H11NO |
| CAS | 6089-09-4 |
|---|---|
| MDL Number | MFCD00004407 |
Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic dianhydride, 97%
CAS: 1719-83-1 Molecular Formula: C12H8O6 Molecular Weight (g/mol): 248.19 MDL Number: MFCD00082228 InChI Key: XLOGCGOPKPCECW-UHFFFAOYSA-N Synonym: bicyclo 2.2.2 oct-7-ene-2,3,5,6-tetracarboxylic dianhydride,4,4a,8,8a-tetrahydro-4,8-ethenobenzo 1,2-c:4,5-c' difuran-1,3,5,7 3ah,7ah-tetraone,bicyclo 2.2.2 oct-7-ene-2,3,5,6-tetracarboxylic acid dianhydride,4,8-etheno-1h,3h-benzo 1,2-c:4,5-c' difuran-1,3,5,7-tetrone, 3a,4,4a,7a,8,8a-hexahydro,bicyclo 2.2.2-7-octene-2,3,5,6-tetracarboxylic dianhydride,bicyclo 2.2.2-7-octene-2,3,5,6-tetracarboxylic acid dianhydride,4,10-dioxatetracyclo 5.5.2.0<2,6>.0<8,12> tetradec-13-ene-3,5,9,11-tetraone,4,10-dioxatetracyclo 5.5.2.0 2 ,?.0?, 1 2 tetradec-13-ene-3,5,9,11-tetrone,bicyclo 2.2.2 oct-7-ene-2,3:5,6-tetracarboxylic dianhydride,4,4a,8,8a-tetrahydro-4,8-ethenobenzo 1,2-c PubChem CID: 102679 SMILES: C1=CC2C3C(C1C4C2C(=O)OC4=O)C(=O)OC3=O
| PubChem CID | 102679 |
|---|---|
| CAS | 1719-83-1 |
| Molecular Weight (g/mol) | 248.19 |
| MDL Number | MFCD00082228 |
| SMILES | C1=CC2C3C(C1C4C2C(=O)OC4=O)C(=O)OC3=O |
| Synonym | bicyclo 2.2.2 oct-7-ene-2,3,5,6-tetracarboxylic dianhydride,4,4a,8,8a-tetrahydro-4,8-ethenobenzo 1,2-c:4,5-c' difuran-1,3,5,7 3ah,7ah-tetraone,bicyclo 2.2.2 oct-7-ene-2,3,5,6-tetracarboxylic acid dianhydride,4,8-etheno-1h,3h-benzo 1,2-c:4,5-c' difuran-1,3,5,7-tetrone, 3a,4,4a,7a,8,8a-hexahydro,bicyclo 2.2.2-7-octene-2,3,5,6-tetracarboxylic dianhydride,bicyclo 2.2.2-7-octene-2,3,5,6-tetracarboxylic acid dianhydride,4,10-dioxatetracyclo 5.5.2.0<2,6>.0<8,12> tetradec-13-ene-3,5,9,11-tetraone,4,10-dioxatetracyclo 5.5.2.0 2 ,?.0?, 1 2 tetradec-13-ene-3,5,9,11-tetrone,bicyclo 2.2.2 oct-7-ene-2,3:5,6-tetracarboxylic dianhydride,4,4a,8,8a-tetrahydro-4,8-ethenobenzo 1,2-c |
| InChI Key | XLOGCGOPKPCECW-UHFFFAOYSA-N |
| Molecular Formula | C12H8O6 |