Organic acids and derivatives
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Dimethyl Maleate 97.0+%, TCI America™
CAS: 624-48-6 Molecular Formula: C6H8O4 Molecular Weight (g/mol): 144.126 MDL Number: MFCD00008459 InChI Key: LDCRTTXIJACKKU-ARJAWSKDSA-N Synonym: dimethyl maleate,maleic acid, dimethyl ester,methyl maleate,sipomer dmm,maleic acid dimethyl ester,dimethyl cis-butenedioate,2-butenedioic acid z-, dimethyl ester,dimethyl cis-ethylenedicarboxylate,2-butenedioic acid 2z-, dimethyl ester,2-butenedioic acid, dimethyl ester, z PubChem CID: 5271565 ChEBI: CHEBI:35460 IUPAC Name: dimethyl (Z)-but-2-enedioate SMILES: COC(=O)C=CC(=O)OC
| PubChem CID | 5271565 |
|---|---|
| CAS | 624-48-6 |
| Molecular Weight (g/mol) | 144.126 |
| ChEBI | CHEBI:35460 |
| MDL Number | MFCD00008459 |
| SMILES | COC(=O)C=CC(=O)OC |
| Synonym | dimethyl maleate,maleic acid, dimethyl ester,methyl maleate,sipomer dmm,maleic acid dimethyl ester,dimethyl cis-butenedioate,2-butenedioic acid z-, dimethyl ester,dimethyl cis-ethylenedicarboxylate,2-butenedioic acid 2z-, dimethyl ester,2-butenedioic acid, dimethyl ester, z |
| IUPAC Name | dimethyl (Z)-but-2-enedioate |
| InChI Key | LDCRTTXIJACKKU-ARJAWSKDSA-N |
| Molecular Formula | C6H8O4 |
Propyl Hexanoate 98.0+%, TCI America™
CAS: 626-77-7 Molecular Formula: C9H18O2 Molecular Weight (g/mol): 158.24 MDL Number: MFCD00053803 InChI Key: HTUIWRWYYVBCFT-UHFFFAOYSA-N Synonym: propyl caproate,caproic acid propyl ester,hexanoic acid, propyl ester,n-propyl hexanoate,propionyl hexanoate,n-propyl n-hexanoate,hexanoic acid propyl ester,natural,fema no. 2949,n-propyl hexanoaten PubChem CID: 12293 ChEBI: CHEBI:87365 IUPAC Name: propyl hexanoate SMILES: CCCCCC(=O)OCCC
| PubChem CID | 12293 |
|---|---|
| CAS | 626-77-7 |
| Molecular Weight (g/mol) | 158.24 |
| ChEBI | CHEBI:87365 |
| MDL Number | MFCD00053803 |
| SMILES | CCCCCC(=O)OCCC |
| Synonym | propyl caproate,caproic acid propyl ester,hexanoic acid, propyl ester,n-propyl hexanoate,propionyl hexanoate,n-propyl n-hexanoate,hexanoic acid propyl ester,natural,fema no. 2949,n-propyl hexanoaten |
| IUPAC Name | propyl hexanoate |
| InChI Key | HTUIWRWYYVBCFT-UHFFFAOYSA-N |
| Molecular Formula | C9H18O2 |
Methanesulfonic Acid 99.0+%, TCI America™
CAS: 75-75-2 Molecular Formula: CH4O3S Molecular Weight (g/mol): 96.1 MDL Number: MFCD00007518 InChI Key: AFVFQIVMOAPDHO-UHFFFAOYSA-N Synonym: methylsulfonic acid,methanesulphonic acid,methanesulfonicacid,kyselina methansulfonova,methansulfonsaeure,ccris 2783,kyselina methansulfonova czech,ch3so3h,methane sulfonic acid,sulfomethane PubChem CID: 6395 ChEBI: CHEBI:27376 IUPAC Name: methanesulfonic acid SMILES: CS(=O)(=O)O
| PubChem CID | 6395 |
|---|---|
| CAS | 75-75-2 |
| Molecular Weight (g/mol) | 96.1 |
| ChEBI | CHEBI:27376 |
| MDL Number | MFCD00007518 |
| SMILES | CS(=O)(=O)O |
| Synonym | methylsulfonic acid,methanesulphonic acid,methanesulfonicacid,kyselina methansulfonova,methansulfonsaeure,ccris 2783,kyselina methansulfonova czech,ch3so3h,methane sulfonic acid,sulfomethane |
| IUPAC Name | methanesulfonic acid |
| InChI Key | AFVFQIVMOAPDHO-UHFFFAOYSA-N |
| Molecular Formula | CH4O3S |
Methyl 4-(Aminomethyl)cyclohexanecarboxylate Hydrochloride (cis- and trans- mixture) 98.0+%, TCI America™
CAS: 54640-02-7 Molecular Formula: C9H18ClNO2 Molecular Weight (g/mol): 207.698 MDL Number: MFCD03093748 InChI Key: PZPSRTWFJCGJLP-UHFFFAOYSA-N Synonym: 4-(Aminomethyl)cyclohexanecarboxylic Acid Methyl Ester Hydrochloride PubChem CID: 12721445 IUPAC Name: methyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride SMILES: COC(=O)C1CCC(CC1)CN.Cl
| PubChem CID | 12721445 |
|---|---|
| CAS | 54640-02-7 |
| Molecular Weight (g/mol) | 207.698 |
| MDL Number | MFCD03093748 |
| SMILES | COC(=O)C1CCC(CC1)CN.Cl |
| Synonym | 4-(Aminomethyl)cyclohexanecarboxylic Acid Methyl Ester Hydrochloride |
| IUPAC Name | methyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride |
| InChI Key | PZPSRTWFJCGJLP-UHFFFAOYSA-N |
| Molecular Formula | C9H18ClNO2 |
4-Methyl-2-propyl-6-benzimidazolecarboxylic Acid 98.0+%, TCI America™
CAS: 152628-03-0 Molecular Formula: C12H14N2O2 Molecular Weight (g/mol): 218.256 MDL Number: MFCD06656215 InChI Key: XWAJTVCEILFDGU-UHFFFAOYSA-N Synonym: 6-Carboxy-4-methyl-2-propylbenzimidazole PubChem CID: 10262831 IUPAC Name: 7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid SMILES: CCCC1=NC2=C(C=C(C=C2N1)C(=O)O)C
| PubChem CID | 10262831 |
|---|---|
| CAS | 152628-03-0 |
| Molecular Weight (g/mol) | 218.256 |
| MDL Number | MFCD06656215 |
| SMILES | CCCC1=NC2=C(C=C(C=C2N1)C(=O)O)C |
| Synonym | 6-Carboxy-4-methyl-2-propylbenzimidazole |
| IUPAC Name | 7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid |
| InChI Key | XWAJTVCEILFDGU-UHFFFAOYSA-N |
| Molecular Formula | C12H14N2O2 |
Methyl Bromodifluoroacetate 97.0+%, TCI America™
CAS: 683-98-7 Molecular Formula: C3H3BrF2O2 Molecular Weight (g/mol): 188.96 MDL Number: MFCD06248118 InChI Key: IOBCLXSGWMFVQJ-UHFFFAOYSA-N Synonym: Bromodifluoroacetic Acid Methyl Ester PubChem CID: 2783339 IUPAC Name: methyl 2-bromo-2,2-difluoroacetate SMILES: COC(=O)C(F)(F)Br
| PubChem CID | 2783339 |
|---|---|
| CAS | 683-98-7 |
| Molecular Weight (g/mol) | 188.96 |
| MDL Number | MFCD06248118 |
| SMILES | COC(=O)C(F)(F)Br |
| Synonym | Bromodifluoroacetic Acid Methyl Ester |
| IUPAC Name | methyl 2-bromo-2,2-difluoroacetate |
| InChI Key | IOBCLXSGWMFVQJ-UHFFFAOYSA-N |
| Molecular Formula | C3H3BrF2O2 |
Pyrazole-3-carboxylic Acid 98.0+%, TCI America™
CAS: 1621-91-6 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.09 MDL Number: MFCD00077436 InChI Key: KOPFEFZSAMLEHK-UHFFFAOYSA-N Synonym: 1h-pyrazole-3-carboxylic acid,pyrazole-3-carboxylic acid,2h-pyrazole-3-carboxylic acid,5-pyrazolecarboxylic acid,3-pyrazolecarboxylic acid,3-carboxy-1h-pyrazole,pyrazolic acid,pyrazolecarboxylic,3-carboxypyrazole,2h-pyrazole-3-carboxylicacid PubChem CID: 574310 IUPAC Name: 1H-pyrazole-5-carboxylic acid SMILES: OC(=O)C1=CC=NN1
| PubChem CID | 574310 |
|---|---|
| CAS | 1621-91-6 |
| Molecular Weight (g/mol) | 112.09 |
| MDL Number | MFCD00077436 |
| SMILES | OC(=O)C1=CC=NN1 |
| Synonym | 1h-pyrazole-3-carboxylic acid,pyrazole-3-carboxylic acid,2h-pyrazole-3-carboxylic acid,5-pyrazolecarboxylic acid,3-pyrazolecarboxylic acid,3-carboxy-1h-pyrazole,pyrazolic acid,pyrazolecarboxylic,3-carboxypyrazole,2h-pyrazole-3-carboxylicacid |
| IUPAC Name | 1H-pyrazole-5-carboxylic acid |
| InChI Key | KOPFEFZSAMLEHK-UHFFFAOYSA-N |
| Molecular Formula | C4H4N2O2 |
Diethyl D-(-)-Tartrate 97.0+%, TCI America™
CAS: 13811-71-7 Molecular Formula: C8H14O6 Molecular Weight (g/mol): 206.19 MDL Number: MFCD00064451 InChI Key: YSAVZVORKRDODB-WDSKDSINSA-N Synonym: --diethyl d-tartrate,2s,3s-diethyl 2,3-dihydroxysuccinate,diethyl d-tartrate,d---tartaric acid diethyl ester,diethyl d---tartrate,diethyl-d-tartrate,diethyl 2s,3s-2,3-dihydroxybutanedioate,2s,3s--dihydroxybutane-1,4-dioic acid diethyl ester,--diethyl-d-tartrate,diethyl s-r*,r*-tartrate PubChem CID: 117410 IUPAC Name: 1,4-diethyl (2S,3S)-2,3-dihydroxybutanedioate SMILES: CCOC(=O)[C@@H](O)[C@H](O)C(=O)OCC
| PubChem CID | 117410 |
|---|---|
| CAS | 13811-71-7 |
| Molecular Weight (g/mol) | 206.19 |
| MDL Number | MFCD00064451 |
| SMILES | CCOC(=O)[C@@H](O)[C@H](O)C(=O)OCC |
| Synonym | --diethyl d-tartrate,2s,3s-diethyl 2,3-dihydroxysuccinate,diethyl d-tartrate,d---tartaric acid diethyl ester,diethyl d---tartrate,diethyl-d-tartrate,diethyl 2s,3s-2,3-dihydroxybutanedioate,2s,3s--dihydroxybutane-1,4-dioic acid diethyl ester,--diethyl-d-tartrate,diethyl s-r*,r*-tartrate |
| IUPAC Name | 1,4-diethyl (2S,3S)-2,3-dihydroxybutanedioate |
| InChI Key | YSAVZVORKRDODB-WDSKDSINSA-N |
| Molecular Formula | C8H14O6 |
Pentafluorobenzyl p-Toluenesulfonate 98.0+%, TCI America™
CAS: 32974-36-0 Molecular Formula: C14H9F5O3S Molecular Weight (g/mol): 352.275 MDL Number: MFCD06248628 InChI Key: BKNSDBYJUGNUDL-UHFFFAOYSA-N Synonym: PFB - Tosylate, p-Toluenesulfonic Acid Pentafluorobenzyl Ester PubChem CID: 2775939 IUPAC Name: (2,3,4,5,6-pentafluorophenyl)methyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2=C(C(=C(C(=C2F)F)F)F)F
| PubChem CID | 2775939 |
|---|---|
| CAS | 32974-36-0 |
| Molecular Weight (g/mol) | 352.275 |
| MDL Number | MFCD06248628 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC2=C(C(=C(C(=C2F)F)F)F)F |
| Synonym | PFB - Tosylate, p-Toluenesulfonic Acid Pentafluorobenzyl Ester |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl)methyl 4-methylbenzenesulfonate |
| InChI Key | BKNSDBYJUGNUDL-UHFFFAOYSA-N |
| Molecular Formula | C14H9F5O3S |
Ethyl o-Tolylacetate 97.0+%, TCI America™
CAS: 40291-39-2 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00009179 InChI Key: HTDQOYWJDUMNHX-UHFFFAOYSA-N Synonym: ethyl o-tolylacetate,ethyl 2-o-tolyl acetate,ethyl 2-2-methylphenyl acetate,2-methylphenylacetic acid ethyl ester,o-tolylacetic acid ethyl ester,ethyl o-methylphenylacetate,ethyl 2-methylphenylacetate,benzeneacetic acid, 2-methyl-, ethyl ester,toluene=ethyl acetate,ethyl 2-o-tolylacetate PubChem CID: 96528 IUPAC Name: ethyl 2-(2-methylphenyl)acetate SMILES: CCOC(=O)CC1=CC=CC=C1C
| PubChem CID | 96528 |
|---|---|
| CAS | 40291-39-2 |
| Molecular Weight (g/mol) | 178.231 |
| MDL Number | MFCD00009179 |
| SMILES | CCOC(=O)CC1=CC=CC=C1C |
| Synonym | ethyl o-tolylacetate,ethyl 2-o-tolyl acetate,ethyl 2-2-methylphenyl acetate,2-methylphenylacetic acid ethyl ester,o-tolylacetic acid ethyl ester,ethyl o-methylphenylacetate,ethyl 2-methylphenylacetate,benzeneacetic acid, 2-methyl-, ethyl ester,toluene=ethyl acetate,ethyl 2-o-tolylacetate |
| IUPAC Name | ethyl 2-(2-methylphenyl)acetate |
| InChI Key | HTDQOYWJDUMNHX-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
Ethyl p-Tolylacetate 98.0+%, TCI America™
CAS: 14062-19-2 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00009181 InChI Key: BTRGZBIXPLFVNK-UHFFFAOYSA-N Synonym: ethyl p-tolylacetate,ethyl 4-methylphenylacetate,ethyl 2-4-methylphenyl acetate,ethyl 2-p-tolyl acetate,ethyl-p-tolylacetate,p-tolylacetic acid ethyl ester,ethyl-4-tolylacetate,ethyl p-methylphenylacetate,ethyl 4-methylphenyl acetate,4-methylphenylacetic acid ethyl ester PubChem CID: 84175 IUPAC Name: ethyl 2-(4-methylphenyl)acetate SMILES: CCOC(=O)CC1=CC=C(C=C1)C
| PubChem CID | 84175 |
|---|---|
| CAS | 14062-19-2 |
| Molecular Weight (g/mol) | 178.231 |
| MDL Number | MFCD00009181 |
| SMILES | CCOC(=O)CC1=CC=C(C=C1)C |
| Synonym | ethyl p-tolylacetate,ethyl 4-methylphenylacetate,ethyl 2-4-methylphenyl acetate,ethyl 2-p-tolyl acetate,ethyl-p-tolylacetate,p-tolylacetic acid ethyl ester,ethyl-4-tolylacetate,ethyl p-methylphenylacetate,ethyl 4-methylphenyl acetate,4-methylphenylacetic acid ethyl ester |
| IUPAC Name | ethyl 2-(4-methylphenyl)acetate |
| InChI Key | BTRGZBIXPLFVNK-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
Ethyl m-Tolylacetate 98.0+%, TCI America™
CAS: 40061-55-0 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00017273 InChI Key: RVIWPVAVHHVQIR-UHFFFAOYSA-N Synonym: ethyl m-tolylacetate,ethyl 2-3-methylphenyl acetate,ethyl meta-tolylacetate,ethyl 3-methylphenylacetate,m-tolylacetic acid ethyl ester,ethyl 2-m-tolyl acetate,benzeneacetic acid, 3-methyl-, ethyl ester,ethyl m-methylphenylacetate,3-methylphenylacetic acid ethyl ester,ethylm-tolylacetate PubChem CID: 96574 IUPAC Name: ethyl 2-(3-methylphenyl)acetate SMILES: CCOC(=O)CC1=CC=CC(=C1)C
| PubChem CID | 96574 |
|---|---|
| CAS | 40061-55-0 |
| Molecular Weight (g/mol) | 178.231 |
| MDL Number | MFCD00017273 |
| SMILES | CCOC(=O)CC1=CC=CC(=C1)C |
| Synonym | ethyl m-tolylacetate,ethyl 2-3-methylphenyl acetate,ethyl meta-tolylacetate,ethyl 3-methylphenylacetate,m-tolylacetic acid ethyl ester,ethyl 2-m-tolyl acetate,benzeneacetic acid, 3-methyl-, ethyl ester,ethyl m-methylphenylacetate,3-methylphenylacetic acid ethyl ester,ethylm-tolylacetate |
| IUPAC Name | ethyl 2-(3-methylphenyl)acetate |
| InChI Key | RVIWPVAVHHVQIR-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
(R)-(-)-1,1'-Binaphthyl-2,2'-diyl Hydrogen Phosphate 98.0+%, TCI America™
CAS: 39648-67-4 Molecular Formula: C20H12O4P Molecular Weight (g/mol): 347.29 MDL Number: MFCD00010045 InChI Key: JEHUZVBIUCAMRZ-UHFFFAOYSA-M Synonym: 1,1'-binaphthyl-2,2'-diyl hydrogenphosphate,s-+-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate,r---1,1'-binaphthyl-2,2'-diyl hydrogenphosphate,1,1'-binaphthyl-2,2'-diyl hydrogen phosphate,r---bnp acid,11bs-4-hydroxydinaphtho 2,1-d:1',2'-f 1,3,2 dioxaphosphepine 4-oxide,r---1,1'-binaphthyl-2,2'-diyl hydrogen phosphate,r-4-hydroxydinaphtho 2,1-d:1',2'-f 1,3,2 dioxaphosphepine 4-oxide,s-+-bnp acid,4-hydroxydinaphtho 2,1-d:1',2'-f 1,3,2 dioxaphosphepine 4-oxide PubChem CID: 99589 IUPAC Name: 13-oxo-12,14-dioxa-13λ⁵-phosphapentacyclo[13.8.0.0²,¹¹.0³,⁸.0¹⁸,²³]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaen-13-olate SMILES: [O-]P1(=O)OC2=CC=C3C=CC=CC3=C2C2=C3C=CC=CC3=CC=C2O1
| PubChem CID | 99589 |
|---|---|
| CAS | 39648-67-4 |
| Molecular Weight (g/mol) | 347.29 |
| MDL Number | MFCD00010045 |
| SMILES | [O-]P1(=O)OC2=CC=C3C=CC=CC3=C2C2=C3C=CC=CC3=CC=C2O1 |
| Synonym | 1,1'-binaphthyl-2,2'-diyl hydrogenphosphate,s-+-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate,r---1,1'-binaphthyl-2,2'-diyl hydrogenphosphate,1,1'-binaphthyl-2,2'-diyl hydrogen phosphate,r---bnp acid,11bs-4-hydroxydinaphtho 2,1-d:1',2'-f 1,3,2 dioxaphosphepine 4-oxide,r---1,1'-binaphthyl-2,2'-diyl hydrogen phosphate,r-4-hydroxydinaphtho 2,1-d:1',2'-f 1,3,2 dioxaphosphepine 4-oxide,s-+-bnp acid,4-hydroxydinaphtho 2,1-d:1',2'-f 1,3,2 dioxaphosphepine 4-oxide |
| IUPAC Name | 13-oxo-12,14-dioxa-13λ⁵-phosphapentacyclo[13.8.0.0²,¹¹.0³,⁸.0¹⁸,²³]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaen-13-olate |
| InChI Key | JEHUZVBIUCAMRZ-UHFFFAOYSA-M |
| Molecular Formula | C20H12O4P |
Ethyl Bromodifluoroacetate 98.0+%, TCI America™
CAS: 667-27-6 Molecular Formula: C4H5BrF2O2 Molecular Weight (g/mol): 202.983 MDL Number: MFCD00042069 InChI Key: IRSJDVYTJUCXRV-UHFFFAOYSA-N Synonym: ethyl bromodifluoroacetate,ethylbromodifluoroacetate,bromodifluoroacetic acid ethyl ester,acetic acid, bromodifluoro-, ethyl ester,ethyl difluorobromoacetate,ethyl 2-bromo-2,2-difluoro-acetate,2-bromo-2,2-difluoro-1-ethoxyethan-1-one,2-bromo-2,2-difluoro-1-ethoxy-1-oxoethane,ethylbrom difluor acetat,pubchem16953 PubChem CID: 69585 IUPAC Name: ethyl 2-bromo-2,2-difluoroacetate SMILES: CCOC(=O)C(F)(F)Br
| PubChem CID | 69585 |
|---|---|
| CAS | 667-27-6 |
| Molecular Weight (g/mol) | 202.983 |
| MDL Number | MFCD00042069 |
| SMILES | CCOC(=O)C(F)(F)Br |
| Synonym | ethyl bromodifluoroacetate,ethylbromodifluoroacetate,bromodifluoroacetic acid ethyl ester,acetic acid, bromodifluoro-, ethyl ester,ethyl difluorobromoacetate,ethyl 2-bromo-2,2-difluoro-acetate,2-bromo-2,2-difluoro-1-ethoxyethan-1-one,2-bromo-2,2-difluoro-1-ethoxy-1-oxoethane,ethylbrom difluor acetat,pubchem16953 |
| IUPAC Name | ethyl 2-bromo-2,2-difluoroacetate |
| InChI Key | IRSJDVYTJUCXRV-UHFFFAOYSA-N |
| Molecular Formula | C4H5BrF2O2 |