Organic acids and derivatives
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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 |
Sodium trifluoromethanesulfonate
CAS: 2926-30-9 Molecular Formula: CF3NaO3S Molecular Weight (g/mol): 172.053 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) | 172.053 |
| 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 |
| CAS | 79-20-9 |
|---|
Methyle3,4-diaminobenzoate, 97%, Thermo Scientific™
CAS: 36692-49-6 Molecular Formula: C8H10N2O2 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00017098 InChI Key: IOPLHGOSNCJOOO-UHFFFAOYSA-N Synonym: 3,4-diaminobenzoic acid methyl ester,methyl3,4-diaminobenzoate,methyl-3,4-diaminobenzoate,benzoic acid, 3,4-diamino-, methyl ester,3,4-diamino-benzoic acid methyl ester,methyl 3,4-diaminobenzenecarboxylate,pubchem4610,acmc-1bn7s,methyl 3,4-diamino-benzoate,methyl-3,4-diamino-benzoate PubChem CID: 135524 IUPAC Name: methyl 3,4-diaminobenzoate SMILES: COC(=O)C1=CC=C(N)C(N)=C1
| PubChem CID | 135524 |
|---|---|
| CAS | 36692-49-6 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00017098 |
| SMILES | COC(=O)C1=CC=C(N)C(N)=C1 |
| Synonym | 3,4-diaminobenzoic acid methyl ester,methyl3,4-diaminobenzoate,methyl-3,4-diaminobenzoate,benzoic acid, 3,4-diamino-, methyl ester,3,4-diamino-benzoic acid methyl ester,methyl 3,4-diaminobenzenecarboxylate,pubchem4610,acmc-1bn7s,methyl 3,4-diamino-benzoate,methyl-3,4-diamino-benzoate |
| IUPAC Name | methyl 3,4-diaminobenzoate |
| InChI Key | IOPLHGOSNCJOOO-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O2 |
methyl 4-amino-1-methyl-1H-pyrrole-2-carboxylate hydrochloride, Thermo Scientific™
CAS: 180258-45-1 Molecular Formula: C7H11ClN2O2 Molecular Weight (g/mol): 190.63 MDL Number: MFCD01318761 InChI Key: HEOKCJUUKIPIMM-UHFFFAOYSA-N Synonym: methyl 4-amino-1-methyl-1h-pyrrole-2-carboxylate hydrochloride,methyl 4-amino-1-methylpyrrole-2-carboxylate hydrochloride,methyl-4-amino-1-methyl pyrrole-2-carboxylate hydrochloride,4-amino-1-methyl-1h-pyrrole-2-carboxylic acid-methyl ester hcl,4-amino-1-methylpyrrole-2-carboxylic acid methyl ester hydrochloride,h-nh 4-mepyl-2-ome hcl,methyl 4-amino-1-methyl-pyrrole-2-carboxylate hydrochloride,methyl-4-amino-1-methyl pyrrole-2-carboxylate, hcl,n-methyl-2-carbomethoxy-4-aminopyrrole hydrochloride,3-amino-1-methyl-5-methyloxycarbonylpyrrol hydrochloride PubChem CID: 2794656 SMILES: Cl.COC(=O)C1=CC(N)=CN1C
| PubChem CID | 2794656 |
|---|---|
| CAS | 180258-45-1 |
| Molecular Weight (g/mol) | 190.63 |
| MDL Number | MFCD01318761 |
| SMILES | Cl.COC(=O)C1=CC(N)=CN1C |
| Synonym | methyl 4-amino-1-methyl-1h-pyrrole-2-carboxylate hydrochloride,methyl 4-amino-1-methylpyrrole-2-carboxylate hydrochloride,methyl-4-amino-1-methyl pyrrole-2-carboxylate hydrochloride,4-amino-1-methyl-1h-pyrrole-2-carboxylic acid-methyl ester hcl,4-amino-1-methylpyrrole-2-carboxylic acid methyl ester hydrochloride,h-nh 4-mepyl-2-ome hcl,methyl 4-amino-1-methyl-pyrrole-2-carboxylate hydrochloride,methyl-4-amino-1-methyl pyrrole-2-carboxylate, hcl,n-methyl-2-carbomethoxy-4-aminopyrrole hydrochloride,3-amino-1-methyl-5-methyloxycarbonylpyrrol hydrochloride |
| InChI Key | HEOKCJUUKIPIMM-UHFFFAOYSA-N |
| Molecular Formula | C7H11ClN2O2 |
Methyl p-toluenesulfonate, 97%
CAS: 80-48-8 Molecular Formula: C8H10O3S Molecular Weight (g/mol): 186.23 MDL Number: MFCD00008417 InChI Key: VUQUOGPMUUJORT-UHFFFAOYSA-N Synonym: methyl p-toluenesulfonate,methyl tosylate,methyl p-tosylate,methyl toluene-4-sulfonate,methyl-p-toluenesulfonate,p-toluenesulfonic acid, methyl ester,benzenesulfonic acid, 4-methyl-, methyl ester,methyl toluene-4-sulphonate,p-toluenesulfonic acid methyl ester,p-methylbenzenesulfonate methyl ester PubChem CID: 6645 IUPAC Name: methyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC
| PubChem CID | 6645 |
|---|---|
| CAS | 80-48-8 |
| Molecular Weight (g/mol) | 186.23 |
| MDL Number | MFCD00008417 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC |
| Synonym | methyl p-toluenesulfonate,methyl tosylate,methyl p-tosylate,methyl toluene-4-sulfonate,methyl-p-toluenesulfonate,p-toluenesulfonic acid, methyl ester,benzenesulfonic acid, 4-methyl-, methyl ester,methyl toluene-4-sulphonate,p-toluenesulfonic acid methyl ester,p-methylbenzenesulfonate methyl ester |
| IUPAC Name | methyl 4-methylbenzenesulfonate |
| InChI Key | VUQUOGPMUUJORT-UHFFFAOYSA-N |
| Molecular Formula | C8H10O3S |
Fumonisin B1, 96%
CAS: 116355-83-0 Molecular Formula: C34H59NO15 Molecular Weight (g/mol): 721.8 MDL Number: MFCD00133349 InChI Key: UVBUBMSSQKOIBE-UWCNXKJPSA-N Synonym: macrofusine,fumonisin b1,2r,2'r-1,2,3-propanetricarboxylic acid 1,1'-1s,2r-1-2s,4r,9r,11s,12s-12-amino-4,9,11-trihydroxy-2-methyltridecyl-2-1r-1-methylpentyl-1,2-ethanediyl ester,2s-2-2-5r,6r,7s,9s,11r,16r,18s,19s-19-amino-6-3r-3,4-dicarboxybutanoyl oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl oxy-2-oxoethyl butanedioic acid PubChem CID: 16760030 IUPAC Name: (2S)-2-[2-[(5R,6R,7S,9S,11R,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid SMILES: CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O
| PubChem CID | 16760030 |
|---|---|
| CAS | 116355-83-0 |
| Molecular Weight (g/mol) | 721.8 |
| MDL Number | MFCD00133349 |
| SMILES | CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O |
| Synonym | macrofusine,fumonisin b1,2r,2'r-1,2,3-propanetricarboxylic acid 1,1'-1s,2r-1-2s,4r,9r,11s,12s-12-amino-4,9,11-trihydroxy-2-methyltridecyl-2-1r-1-methylpentyl-1,2-ethanediyl ester,2s-2-2-5r,6r,7s,9s,11r,16r,18s,19s-19-amino-6-3r-3,4-dicarboxybutanoyl oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl oxy-2-oxoethyl butanedioic acid |
| IUPAC Name | (2S)-2-[2-[(5R,6R,7S,9S,11R,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid |
| InChI Key | UVBUBMSSQKOIBE-UWCNXKJPSA-N |
| Molecular Formula | C34H59NO15 |
4-Methoxyphenylboronic acid, 97%
CAS: 5720-07-0 Molecular Formula: C7H9BO3 Molecular Weight (g/mol): 151.96 MDL Number: MFCD00039139 InChI Key: VOAAEKKFGLPLLU-UHFFFAOYSA-N Synonym: 4-methoxyphenyl boronic acid,4-methoxybenzeneboronic acid,p-anisylboronic acid,p-methoxyphenylboronic acid,p-methoxybenzeneboronic acid,4-methoxyphenyl boranediol,benzeneboronic acid, p-methoxy,4-boronoanisole,4-methoxyphenylboronicacid PubChem CID: 201262 IUPAC Name: (4-methoxyphenyl)boronic acid SMILES: COC1=CC=C(C=C1)B(O)O
| PubChem CID | 201262 |
|---|---|
| CAS | 5720-07-0 |
| Molecular Weight (g/mol) | 151.96 |
| MDL Number | MFCD00039139 |
| SMILES | COC1=CC=C(C=C1)B(O)O |
| Synonym | 4-methoxyphenyl boronic acid,4-methoxybenzeneboronic acid,p-anisylboronic acid,p-methoxyphenylboronic acid,p-methoxybenzeneboronic acid,4-methoxyphenyl boranediol,benzeneboronic acid, p-methoxy,4-boronoanisole,4-methoxyphenylboronicacid |
| IUPAC Name | (4-methoxyphenyl)boronic acid |
| InChI Key | VOAAEKKFGLPLLU-UHFFFAOYSA-N |
| Molecular Formula | C7H9BO3 |
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 |
Propionic acid, sodium salt, 99.0-100.5%
CAS: 137-40-6 Molecular Formula: C3H5NaO2 Molecular Weight (g/mol): 96.06 MDL Number: MFCD00002759 InChI Key: JXKPEJDQGNYQSM-UHFFFAOYSA-M Synonym: sodium propionate,sodium propanoate,propionic acid sodium salt,propanoic acid, sodium salt,napropion,ocuseptine,deketon,impedex,keenate,propiofar PubChem CID: 2723816 IUPAC Name: sodium;propanoate SMILES: CCC(=O)[O-].[Na+]
| PubChem CID | 2723816 |
|---|---|
| CAS | 137-40-6 |
| Molecular Weight (g/mol) | 96.06 |
| MDL Number | MFCD00002759 |
| SMILES | CCC(=O)[O-].[Na+] |
| Synonym | sodium propionate,sodium propanoate,propionic acid sodium salt,propanoic acid, sodium salt,napropion,ocuseptine,deketon,impedex,keenate,propiofar |
| IUPAC Name | sodium;propanoate |
| InChI Key | JXKPEJDQGNYQSM-UHFFFAOYSA-M |
| Molecular Formula | C3H5NaO2 |
Sodium diphenylamine-4-sulfonate, ACS
CAS: 6152-67-6 Molecular Formula: C12H11NNaO3S Molecular Weight (g/mol): 272.27 MDL Number: MFCD00036468 InChI Key: VMVSDVIYIMNZBS-UHFFFAOYSA-N Synonym: sodium 4-phenylamino benzenesulfonate,sodium diphenylamine-4-sulfonate,benzenesulfonic acid, 4-phenylamino-, monosodium salt,unii-3e2ux1382o,sodium 4-anilinobenzenesulfonate,diphenylamine-4-sulfonic acid sodium salt,sodium diphenylamine-p-sulfonate,n-phenylsulfanilic acid, sodium salt,4-phenylamino benzenesulfonic acid sodium salt,diphenylaminesulfonic acid sodium salt PubChem CID: 517002 IUPAC Name: sodium;4-anilinobenzenesulfonate SMILES: [Na].OS(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1
| PubChem CID | 517002 |
|---|---|
| CAS | 6152-67-6 |
| Molecular Weight (g/mol) | 272.27 |
| MDL Number | MFCD00036468 |
| SMILES | [Na].OS(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1 |
| Synonym | sodium 4-phenylamino benzenesulfonate,sodium diphenylamine-4-sulfonate,benzenesulfonic acid, 4-phenylamino-, monosodium salt,unii-3e2ux1382o,sodium 4-anilinobenzenesulfonate,diphenylamine-4-sulfonic acid sodium salt,sodium diphenylamine-p-sulfonate,n-phenylsulfanilic acid, sodium salt,4-phenylamino benzenesulfonic acid sodium salt,diphenylaminesulfonic acid sodium salt |
| IUPAC Name | sodium;4-anilinobenzenesulfonate |
| InChI Key | VMVSDVIYIMNZBS-UHFFFAOYSA-N |
| Molecular Formula | C12H11NNaO3S |
Methyl chloroacetate, 99+%
CAS: 96-34-4 Molecular Formula: C3H5ClO2 Molecular Weight (g/mol): 108.521 MDL Number: MFCD00000931 InChI Key: QABLOFMHHSOFRJ-UHFFFAOYSA-N Synonym: methyl chloroacetate,chloroacetic acid methyl ester,methyl monochloroacetate,methyl chloroethanoate,acetic acid, chloro-, methyl ester,methyl monochloracetate,methyl alpha-chloroacetate,methylchloroacetate,unii-450vsb182i,ccris 7749 PubChem CID: 7295 IUPAC Name: methyl 2-chloroacetate SMILES: COC(=O)CCl
| PubChem CID | 7295 |
|---|---|
| CAS | 96-34-4 |
| Molecular Weight (g/mol) | 108.521 |
| MDL Number | MFCD00000931 |
| SMILES | COC(=O)CCl |
| Synonym | methyl chloroacetate,chloroacetic acid methyl ester,methyl monochloroacetate,methyl chloroethanoate,acetic acid, chloro-, methyl ester,methyl monochloracetate,methyl alpha-chloroacetate,methylchloroacetate,unii-450vsb182i,ccris 7749 |
| IUPAC Name | methyl 2-chloroacetate |
| InChI Key | QABLOFMHHSOFRJ-UHFFFAOYSA-N |
| Molecular Formula | C3H5ClO2 |
2,3-Dichlorophenylboronic acid, 97%
CAS: 151169-74-3 Molecular Formula: C6H5BCl2O2 Molecular Weight (g/mol): 190.81 MDL Number: MFCD01075703 InChI Key: TYIKXPOMOYDGCS-UHFFFAOYSA-N Synonym: 2,3-dichlorophenyl boronic acid,2,3-dichlorobenzeneboronic acid,2,3-dichlorophenyl boranediol,boronic acid, 2,3-dichlorophenyl,contains varying amounts of anhydride,pubchem1810,dichlorophenylboronic acid,acmc-1c0ur,dichlorobenzene boronic acid PubChem CID: 2734661 IUPAC Name: (2,3-dichlorophenyl)boronic acid SMILES: OB(O)C1=C(Cl)C(Cl)=CC=C1
| PubChem CID | 2734661 |
|---|---|
| CAS | 151169-74-3 |
| Molecular Weight (g/mol) | 190.81 |
| MDL Number | MFCD01075703 |
| SMILES | OB(O)C1=C(Cl)C(Cl)=CC=C1 |
| Synonym | 2,3-dichlorophenyl boronic acid,2,3-dichlorobenzeneboronic acid,2,3-dichlorophenyl boranediol,boronic acid, 2,3-dichlorophenyl,contains varying amounts of anhydride,pubchem1810,dichlorophenylboronic acid,acmc-1c0ur,dichlorobenzene boronic acid |
| IUPAC Name | (2,3-dichlorophenyl)boronic acid |
| InChI Key | TYIKXPOMOYDGCS-UHFFFAOYSA-N |
| Molecular Formula | C6H5BCl2O2 |
Methyl methanesulfonate, 99%
CAS: 66-27-3 Molecular Formula: C2H6O3S Molecular Weight (g/mol): 110.13 MDL Number: MFCD00007557 InChI Key: MBABOKRGFJTBAE-UHFFFAOYSA-N Synonym: methyl mesylate,methanesulfonic acid methyl ester,methanesulfonic acid, methyl ester,methylmethane sulfonate,methylmethansulfonat,methyl methanesulphonate,as-dimethyl sulfite,as-dimethyl sulphite,methylmethanesulfonate,methyl methansulfonate PubChem CID: 4156 ChEBI: CHEBI:25255 IUPAC Name: methyl methanesulfonate SMILES: COS(=O)(=O)C
| PubChem CID | 4156 |
|---|---|
| CAS | 66-27-3 |
| Molecular Weight (g/mol) | 110.13 |
| ChEBI | CHEBI:25255 |
| MDL Number | MFCD00007557 |
| SMILES | COS(=O)(=O)C |
| Synonym | methyl mesylate,methanesulfonic acid methyl ester,methanesulfonic acid, methyl ester,methylmethane sulfonate,methylmethansulfonat,methyl methanesulphonate,as-dimethyl sulfite,as-dimethyl sulphite,methylmethanesulfonate,methyl methansulfonate |
| IUPAC Name | methyl methanesulfonate |
| InChI Key | MBABOKRGFJTBAE-UHFFFAOYSA-N |
| Molecular Formula | C2H6O3S |
4-Cyanophenylboronic acid, 97%
CAS: 126747-14-6 Molecular Formula: C7H6BNO2 Molecular Weight (g/mol): 146.94 MDL Number: MFCD01318968 InChI Key: CEBAHYWORUOILU-UHFFFAOYSA-N Synonym: 4-cyanophenyl boronic acid,4-cyanobenzeneboronic acid,4-dihydroxyboranyl benzonitrile,4-cyano-phenyl-boronic acid,4-boronobenzonitrile,p-cyanophenylboronic acid,4-cyanobenzene boronic acid,boronic acid, 4-cyanophenyl,4-cyano-phenyl boronic acid PubChem CID: 2734326 IUPAC Name: (4-cyanophenyl)boronic acid SMILES: OB(O)C1=CC=C(C=C1)C#N
| PubChem CID | 2734326 |
|---|---|
| CAS | 126747-14-6 |
| Molecular Weight (g/mol) | 146.94 |
| MDL Number | MFCD01318968 |
| SMILES | OB(O)C1=CC=C(C=C1)C#N |
| Synonym | 4-cyanophenyl boronic acid,4-cyanobenzeneboronic acid,4-dihydroxyboranyl benzonitrile,4-cyano-phenyl-boronic acid,4-boronobenzonitrile,p-cyanophenylboronic acid,4-cyanobenzene boronic acid,boronic acid, 4-cyanophenyl,4-cyano-phenyl boronic acid |
| IUPAC Name | (4-cyanophenyl)boronic acid |
| InChI Key | CEBAHYWORUOILU-UHFFFAOYSA-N |
| Molecular Formula | C7H6BNO2 |