Organic acids and derivatives
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Chloroacetic Acid, Crystal, ACS, 99%, Spectrum™ Chemical
CAS: 79-11-8 Molecular Formula: C2H3ClO2 Molecular Weight (g/mol): 94.49 InChI Key: FOCAUTSVDIKZOP-UHFFFAOYSA-N IUPAC Name: 2-chloroacetic acid SMILES: OC(=O)CCl
| CAS | 79-11-8 |
|---|---|
| Molecular Weight (g/mol) | 94.49 |
| SMILES | OC(=O)CCl |
| IUPAC Name | 2-chloroacetic acid |
| InChI Key | FOCAUTSVDIKZOP-UHFFFAOYSA-N |
| Molecular Formula | C2H3ClO2 |
Isopropyl 2-bromo-2-methylpropanoate, 97%, Thermo Scientific™
CAS: 51368-55-9 Molecular Formula: C7H13BrO2 Molecular Weight (g/mol): 209.08 MDL Number: MFCD00055235 InChI Key: UNZJYKKJZGIFCG-UHFFFAOYSA-N Synonym: isopropyl 2-bromo-2-methylpropanoate,isopropyl 2-bromo-2-methylpropionate,2-bromo-2-methylpropionic acid isopropyl ester,isopropyl 2-bromoisobutyrate,propanoic acid, 2-bromo-2-methyl-, 1-methylethyl ester,isopropyl 2-bromo-2-methyl-propanoate,methylethyl 2-bromo-2-methylpropanoate,2-bromo-iso-butyric acid isopropyl ester,propan-2-yl 2-bromanyl-2-methyl-propanoate,2-bromoisobutyric acid isopropyl ester PubChem CID: 2796293 IUPAC Name: propan-2-yl 2-bromo-2-methylpropanoate SMILES: CC(C)OC(=O)C(C)(C)Br
| PubChem CID | 2796293 |
|---|---|
| CAS | 51368-55-9 |
| Molecular Weight (g/mol) | 209.08 |
| MDL Number | MFCD00055235 |
| SMILES | CC(C)OC(=O)C(C)(C)Br |
| Synonym | isopropyl 2-bromo-2-methylpropanoate,isopropyl 2-bromo-2-methylpropionate,2-bromo-2-methylpropionic acid isopropyl ester,isopropyl 2-bromoisobutyrate,propanoic acid, 2-bromo-2-methyl-, 1-methylethyl ester,isopropyl 2-bromo-2-methyl-propanoate,methylethyl 2-bromo-2-methylpropanoate,2-bromo-iso-butyric acid isopropyl ester,propan-2-yl 2-bromanyl-2-methyl-propanoate,2-bromoisobutyric acid isopropyl ester |
| IUPAC Name | propan-2-yl 2-bromo-2-methylpropanoate |
| InChI Key | UNZJYKKJZGIFCG-UHFFFAOYSA-N |
| Molecular Formula | C7H13BrO2 |
Trimethyl phosphate, 98+%
CAS: 512-56-1 Molecular Formula: C3H9O4P Molecular Weight (g/mol): 140.08 MDL Number: MFCD00008348 InChI Key: WVLBCYQITXONBZ-UHFFFAOYSA-N Synonym: trimethylphosphate,phosphoric acid, trimethyl ester,trimethyl orthophosphate,tmpo,trimethoxyphosphine oxide,phosphoric acid trimethyl ester,o,o,o-trimethyl phosphate,trimethylfosfat,phosphate, trimethyl,trimethylfosfat czech PubChem CID: 10541 ChEBI: CHEBI:46324 IUPAC Name: trimethyl phosphate SMILES: COP(=O)(OC)OC
| PubChem CID | 10541 |
|---|---|
| CAS | 512-56-1 |
| Molecular Weight (g/mol) | 140.08 |
| ChEBI | CHEBI:46324 |
| MDL Number | MFCD00008348 |
| SMILES | COP(=O)(OC)OC |
| Synonym | trimethylphosphate,phosphoric acid, trimethyl ester,trimethyl orthophosphate,tmpo,trimethoxyphosphine oxide,phosphoric acid trimethyl ester,o,o,o-trimethyl phosphate,trimethylfosfat,phosphate, trimethyl,trimethylfosfat czech |
| IUPAC Name | trimethyl phosphate |
| InChI Key | WVLBCYQITXONBZ-UHFFFAOYSA-N |
| Molecular Formula | C3H9O4P |
Cyclohexanecarboxylic acid, 98%
CAS: 98-89-5 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.171 MDL Number: MFCD00001461 InChI Key: NZNMSOFKMUBTKW-UHFFFAOYSA-N Synonym: hexahydrobenzoic acid,carboxycyclohexane,cyclohexanoic acid,cyclohexylcarboxylic acid,cyclohexylmethanoic acid,cyclohexylformic acid,benzoic acid, hexahydro,cyclohexancarbonsaeure,cyclohexane-1-carboxylate,cyclohexanecarboxylicacid PubChem CID: 7413 ChEBI: CHEBI:36096 IUPAC Name: cyclohexanecarboxylic acid SMILES: C1CCC(CC1)C(=O)O
| PubChem CID | 7413 |
|---|---|
| CAS | 98-89-5 |
| Molecular Weight (g/mol) | 128.171 |
| ChEBI | CHEBI:36096 |
| MDL Number | MFCD00001461 |
| SMILES | C1CCC(CC1)C(=O)O |
| Synonym | hexahydrobenzoic acid,carboxycyclohexane,cyclohexanoic acid,cyclohexylcarboxylic acid,cyclohexylmethanoic acid,cyclohexylformic acid,benzoic acid, hexahydro,cyclohexancarbonsaeure,cyclohexane-1-carboxylate,cyclohexanecarboxylicacid |
| IUPAC Name | cyclohexanecarboxylic acid |
| InChI Key | NZNMSOFKMUBTKW-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
Sodium trichloroacetate, 97%
CAS: 650-51-1 Molecular Formula: C2Cl3NaO2 Molecular Weight (g/mol): 185.36 MDL Number: MFCD00064198 InChI Key: SAQSTQBVENFSKT-UHFFFAOYSA-M Synonym: sodium trichloroacetate,tca-sodium,trichloroacetic acid sodium salt,antiperz,antyperz,tca sodium,acp grass killer,sodium tca,varitox,stca PubChem CID: 23681045 ChEBI: CHEBI:81976 IUPAC Name: sodium;2,2,2-trichloroacetate SMILES: C(=O)(C(Cl)(Cl)Cl)[O-].[Na+]
| PubChem CID | 23681045 |
|---|---|
| CAS | 650-51-1 |
| Molecular Weight (g/mol) | 185.36 |
| ChEBI | CHEBI:81976 |
| MDL Number | MFCD00064198 |
| SMILES | C(=O)(C(Cl)(Cl)Cl)[O-].[Na+] |
| Synonym | sodium trichloroacetate,tca-sodium,trichloroacetic acid sodium salt,antiperz,antyperz,tca sodium,acp grass killer,sodium tca,varitox,stca |
| IUPAC Name | sodium;2,2,2-trichloroacetate |
| InChI Key | SAQSTQBVENFSKT-UHFFFAOYSA-M |
| Molecular Formula | C2Cl3NaO2 |
Pyridine-3-boronic acid
CAS: 1692-25-7 Molecular Formula: C5H6BNO2 Molecular Weight (g/mol): 122.92 MDL Number: MFCD00674177 InChI Key: ABMYEXAYWZJVOV-UHFFFAOYSA-N Synonym: pyridine-3-boronic acid,3-pyridylboronic acid,3-pyridineboronic acid,pyridin-3-yl boronic acid,3-pyridinylboronic acid,pyridin-3-yl-3-boronic acid,3-pyridineboric acid,3-pyridinebornic acid,pyridyl-3-boronic acid,pyridine 3-boronic acid PubChem CID: 2734378 IUPAC Name: pyridin-3-ylboronic acid SMILES: OB(O)C1=CC=CN=C1
| PubChem CID | 2734378 |
|---|---|
| CAS | 1692-25-7 |
| Molecular Weight (g/mol) | 122.92 |
| MDL Number | MFCD00674177 |
| SMILES | OB(O)C1=CC=CN=C1 |
| Synonym | pyridine-3-boronic acid,3-pyridylboronic acid,3-pyridineboronic acid,pyridin-3-yl boronic acid,3-pyridinylboronic acid,pyridin-3-yl-3-boronic acid,3-pyridineboric acid,3-pyridinebornic acid,pyridyl-3-boronic acid,pyridine 3-boronic acid |
| IUPAC Name | pyridin-3-ylboronic acid |
| InChI Key | ABMYEXAYWZJVOV-UHFFFAOYSA-N |
| Molecular Formula | C5H6BNO2 |
Ethylene carbonate, 99%
CAS: 96-49-1 Molecular Formula: C3H4O3 Molecular Weight (g/mol): 88.062 MDL Number: MFCD00005382 InChI Key: KMTRUDSVKNLOMY-UHFFFAOYSA-N Synonym: ethylene carbonate,glycol carbonate,ethylene glycol carbonate,dioxolone-2,cyclic ethylene carbonate,ethylene carbonic acid,1,3-dioxacyclopentan-2-one,2-dioxolone,carbonic acid, cyclic ethylene ester,texacar ec PubChem CID: 7303 IUPAC Name: 1,3-dioxolan-2-one SMILES: C1COC(=O)O1
| PubChem CID | 7303 |
|---|---|
| CAS | 96-49-1 |
| Molecular Weight (g/mol) | 88.062 |
| MDL Number | MFCD00005382 |
| SMILES | C1COC(=O)O1 |
| Synonym | ethylene carbonate,glycol carbonate,ethylene glycol carbonate,dioxolone-2,cyclic ethylene carbonate,ethylene carbonic acid,1,3-dioxacyclopentan-2-one,2-dioxolone,carbonic acid, cyclic ethylene ester,texacar ec |
| IUPAC Name | 1,3-dioxolan-2-one |
| InChI Key | KMTRUDSVKNLOMY-UHFFFAOYSA-N |
| Molecular Formula | C3H4O3 |
Ethyl iodoacetate, 98%, Thermo Scientific Chemicals
CAS: 623-48-3 Molecular Formula: C4H7IO2 Molecular Weight (g/mol): 214.00 MDL Number: MFCD00001081 InChI Key: MFFXVVHUKRKXCI-UHFFFAOYSA-N Synonym: ethyl iodoacetate,acetic acid, iodo-, ethyl ester,ethyl monoiodoacetate,iodoacetic acid, ethyl ester,acetic acid, 2-iodo-, ethyl ester,ethylester kyseliny jodoctove czech,acetic acid, 2-iodo-,ethyl ester,ethylester kyseliny jodoctove,ethyliodoacetate,iodoacetic acid ethyl PubChem CID: 12183 IUPAC Name: ethyl 2-iodoacetate SMILES: CCOC(=O)CI
| PubChem CID | 12183 |
|---|---|
| CAS | 623-48-3 |
| Molecular Weight (g/mol) | 214.00 |
| MDL Number | MFCD00001081 |
| SMILES | CCOC(=O)CI |
| Synonym | ethyl iodoacetate,acetic acid, iodo-, ethyl ester,ethyl monoiodoacetate,iodoacetic acid, ethyl ester,acetic acid, 2-iodo-, ethyl ester,ethylester kyseliny jodoctove czech,acetic acid, 2-iodo-,ethyl ester,ethylester kyseliny jodoctove,ethyliodoacetate,iodoacetic acid ethyl |
| IUPAC Name | ethyl 2-iodoacetate |
| InChI Key | MFFXVVHUKRKXCI-UHFFFAOYSA-N |
| Molecular Formula | C4H7IO2 |
1-Methyl-1H-pyrazole-4-boronic acid pinacol ester, 97%, Thermo Scientific Chemicals
CAS: 761446-44-0 Molecular Formula: C10H17BN2O2 Molecular Weight (g/mol): 208.07 MDL Number: MFCD03789259 InChI Key: UCNGGGYMLHAMJG-UHFFFAOYSA-N Synonym: 1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-methylpyrazole-4-boronic acid pinacol ester,1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole,1-methyl-1h-pyrazole-4-boronic acid pinacol ester,1-methyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-methyl-pyrazole-4-boronic acid pinacol ester,1-methyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-1h-pyrazole,1h-pyrazole, 1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,1-methyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole,1-methyl-4-pyrazoleboronic acid pinacol ester PubChem CID: 2773987 IUPAC Name: 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole SMILES: CN1C=C(C=N1)B1OC(C)(C)C(C)(C)O1
| PubChem CID | 2773987 |
|---|---|
| CAS | 761446-44-0 |
| Molecular Weight (g/mol) | 208.07 |
| MDL Number | MFCD03789259 |
| SMILES | CN1C=C(C=N1)B1OC(C)(C)C(C)(C)O1 |
| Synonym | 1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-methylpyrazole-4-boronic acid pinacol ester,1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole,1-methyl-1h-pyrazole-4-boronic acid pinacol ester,1-methyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-methyl-pyrazole-4-boronic acid pinacol ester,1-methyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-1h-pyrazole,1h-pyrazole, 1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,1-methyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole,1-methyl-4-pyrazoleboronic acid pinacol ester |
| IUPAC Name | 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
| InChI Key | UCNGGGYMLHAMJG-UHFFFAOYSA-N |
| Molecular Formula | C10H17BN2O2 |
2-Ethylhexanoic acid, 99%
CAS: 149-57-5 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD00002675 InChI Key: OBETXYAYXDNJHR-UHFFFAOYSA-N Synonym: 2-ethylcaproic acid,hexanoic acid, 2-ethyl,ethylhexanoic acid,ethylhexoic acid,2-ethylhexoic acid,butylethylacetic acid,2-butylbutanoic acid,3-heptanecarboxylic acid,ethyl hexanoic acid,2-ethyl-hexoic acid PubChem CID: 8697 IUPAC Name: 2-ethylhexanoic acid SMILES: CCCCC(CC)C(=O)O
| PubChem CID | 8697 |
|---|---|
| CAS | 149-57-5 |
| Molecular Weight (g/mol) | 144.214 |
| MDL Number | MFCD00002675 |
| SMILES | CCCCC(CC)C(=O)O |
| Synonym | 2-ethylcaproic acid,hexanoic acid, 2-ethyl,ethylhexanoic acid,ethylhexoic acid,2-ethylhexoic acid,butylethylacetic acid,2-butylbutanoic acid,3-heptanecarboxylic acid,ethyl hexanoic acid,2-ethyl-hexoic acid |
| IUPAC Name | 2-ethylhexanoic acid |
| InChI Key | OBETXYAYXDNJHR-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
2-Naphthaleneboronic acid, 97%
CAS: 32316-92-0 Molecular Formula: C10H9BO2 Molecular Weight (g/mol): 171.99 MDL Number: MFCD00236051 InChI Key: KPTRDYONBVUWPD-UHFFFAOYSA-N Synonym: 2-naphthaleneboronic acid,2-naphthylboronic acid,naphthalene-2-boronic acid,2-naphthalene boronic acid,2-naphthaleneylboronic acid,naphthalenyl-2-boronic acid,2-naphtahaleneboronic acid,beta-naphthylboronic acid,naphthalen-2-boronic acid,naphthalen-2-yl-boranediol PubChem CID: 2734375 SMILES: OB(O)C1=CC2=CC=CC=C2C=C1
| PubChem CID | 2734375 |
|---|---|
| CAS | 32316-92-0 |
| Molecular Weight (g/mol) | 171.99 |
| MDL Number | MFCD00236051 |
| SMILES | OB(O)C1=CC2=CC=CC=C2C=C1 |
| Synonym | 2-naphthaleneboronic acid,2-naphthylboronic acid,naphthalene-2-boronic acid,2-naphthalene boronic acid,2-naphthaleneylboronic acid,naphthalenyl-2-boronic acid,2-naphtahaleneboronic acid,beta-naphthylboronic acid,naphthalen-2-boronic acid,naphthalen-2-yl-boranediol |
| InChI Key | KPTRDYONBVUWPD-UHFFFAOYSA-N |
| Molecular Formula | C10H9BO2 |
3,4-Dimethoxybenzeneboronic acid, 98%
CAS: 122775-35-3 Molecular Formula: C8H11BO4 Molecular Weight (g/mol): 181.98 MDL Number: MFCD01074574 InChI Key: RCVDPBFUMYUKPB-UHFFFAOYSA-N Synonym: 3,4-dimethoxyphenyl boronic acid,3,4-dimethoxybenzeneboronic acid,3,4-dimethoxyphenyl boranediol,3,4-dimethoxybenzene boronic acid,boronic acid, 3,4-dimethoxyphenyl,3,4-dimethoxyphenylboronicacid,3, 4-dimethoxyphenylboronic acid,pubchem1826,acmc-209amm,ksc174q5t PubChem CID: 2734702 IUPAC Name: (3,4-dimethoxyphenyl)boronic acid SMILES: COC1=CC=C(C=C1OC)B(O)O
| PubChem CID | 2734702 |
|---|---|
| CAS | 122775-35-3 |
| Molecular Weight (g/mol) | 181.98 |
| MDL Number | MFCD01074574 |
| SMILES | COC1=CC=C(C=C1OC)B(O)O |
| Synonym | 3,4-dimethoxyphenyl boronic acid,3,4-dimethoxybenzeneboronic acid,3,4-dimethoxyphenyl boranediol,3,4-dimethoxybenzene boronic acid,boronic acid, 3,4-dimethoxyphenyl,3,4-dimethoxyphenylboronicacid,3, 4-dimethoxyphenylboronic acid,pubchem1826,acmc-209amm,ksc174q5t |
| IUPAC Name | (3,4-dimethoxyphenyl)boronic acid |
| InChI Key | RCVDPBFUMYUKPB-UHFFFAOYSA-N |
| Molecular Formula | C8H11BO4 |
3,4-Dichlorobenzeneboronic acid, 97%
CAS: 151169-75-4 Molecular Formula: C6H5BCl2O2 Molecular Weight (g/mol): 190.81 MDL Number: MFCD01074646 InChI Key: JKIGHOARKAIPJI-UHFFFAOYSA-N Synonym: 3,4-dichlorophenyl boronic acid,3,4-dichlorobenzeneboronic acid,3,4-dichlorophenylboronicacid,3,4-dichlorophenyl boranediol,3,4-dichlorophenylbornic acid,chembl20776,3,4-dichloro benzene boronic acid,boronic acid, 3,4-dichlorophenyl,pubchem1812 PubChem CID: 2734330 IUPAC Name: (3,4-dichlorophenyl)boronic acid SMILES: OB(O)C1=CC=C(Cl)C(Cl)=C1
| PubChem CID | 2734330 |
|---|---|
| CAS | 151169-75-4 |
| Molecular Weight (g/mol) | 190.81 |
| MDL Number | MFCD01074646 |
| SMILES | OB(O)C1=CC=C(Cl)C(Cl)=C1 |
| Synonym | 3,4-dichlorophenyl boronic acid,3,4-dichlorobenzeneboronic acid,3,4-dichlorophenylboronicacid,3,4-dichlorophenyl boranediol,3,4-dichlorophenylbornic acid,chembl20776,3,4-dichloro benzene boronic acid,boronic acid, 3,4-dichlorophenyl,pubchem1812 |
| IUPAC Name | (3,4-dichlorophenyl)boronic acid |
| InChI Key | JKIGHOARKAIPJI-UHFFFAOYSA-N |
| Molecular Formula | C6H5BCl2O2 |
Diethylenetriaminepentaacetic acid dianhydride, 95%
CAS: 23911-26-4 Molecular Formula: C14H19N3O8 Molecular Weight (g/mol): 357.319 MDL Number: MFCD00010697 InChI Key: RAZLJUXJEOEYAM-UHFFFAOYSA-N Synonym: dtpa-anhydride,cyclic dtpa anhydride,2-bis 2-2,6-dioxomorpholino ethyl amino acetic acid,unii-wnm9rlh5x9,wnm9rlh5x9,diethylenetriaminepentaacetic dianhydride,diethylenetriaminepentaacetic acid dianhydride,cdtpaa,glycine, n,n-bis 2-2,6-dioxo-4-morpholinyl ethyl,bis 2-2,6-dioxomorpholin-4-yl ethyl amino acetic acid PubChem CID: 100825 IUPAC Name: 2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid SMILES: C1C(=O)OC(=O)CN1CCN(CCN2CC(=O)OC(=O)C2)CC(=O)O
| PubChem CID | 100825 |
|---|---|
| CAS | 23911-26-4 |
| Molecular Weight (g/mol) | 357.319 |
| MDL Number | MFCD00010697 |
| SMILES | C1C(=O)OC(=O)CN1CCN(CCN2CC(=O)OC(=O)C2)CC(=O)O |
| Synonym | dtpa-anhydride,cyclic dtpa anhydride,2-bis 2-2,6-dioxomorpholino ethyl amino acetic acid,unii-wnm9rlh5x9,wnm9rlh5x9,diethylenetriaminepentaacetic dianhydride,diethylenetriaminepentaacetic acid dianhydride,cdtpaa,glycine, n,n-bis 2-2,6-dioxo-4-morpholinyl ethyl,bis 2-2,6-dioxomorpholin-4-yl ethyl amino acetic acid |
| IUPAC Name | 2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid |
| InChI Key | RAZLJUXJEOEYAM-UHFFFAOYSA-N |
| Molecular Formula | C14H19N3O8 |
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 |