Organic acids and derivatives
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Isopropyl Formate 97.0+%, TCI America™
CAS: 625-55-8 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.11 MDL Number: MFCD00014127 InChI Key: RMOUBSOVHSONPZ-UHFFFAOYSA-N Synonym: isopropyl formate,formic acid, 1-methylethyl ester,formic acid isopropyl ester,formic acid, isopropyl ester,isopropyl methanoate,1-methylethyl formate,methylethyl formate,unii-h1l164w42g,fema no. 2944,hcooch ch3 2 PubChem CID: 12257 IUPAC Name: propan-2-yl formate SMILES: CC(C)OC=O
| PubChem CID | 12257 |
|---|---|
| CAS | 625-55-8 |
| Molecular Weight (g/mol) | 88.11 |
| MDL Number | MFCD00014127 |
| SMILES | CC(C)OC=O |
| Synonym | isopropyl formate,formic acid, 1-methylethyl ester,formic acid isopropyl ester,formic acid, isopropyl ester,isopropyl methanoate,1-methylethyl formate,methylethyl formate,unii-h1l164w42g,fema no. 2944,hcooch ch3 2 |
| IUPAC Name | propan-2-yl formate |
| InChI Key | RMOUBSOVHSONPZ-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2 |
Butyl 2-Bromopropionate 95.0+%, TCI America™
CAS: 41145-84-0 Molecular Formula: C7H13BrO2 Molecular Weight (g/mol): 209.083 MDL Number: MFCD00059469 InChI Key: INMAEXGIVZJYIJ-UHFFFAOYSA-N Synonym: 2-Bromopropionic Acid Butyl Ester PubChem CID: 521024 IUPAC Name: butyl 2-bromopropanoate SMILES: CCCCOC(=O)C(C)Br
| PubChem CID | 521024 |
|---|---|
| CAS | 41145-84-0 |
| Molecular Weight (g/mol) | 209.083 |
| MDL Number | MFCD00059469 |
| SMILES | CCCCOC(=O)C(C)Br |
| Synonym | 2-Bromopropionic Acid Butyl Ester |
| IUPAC Name | butyl 2-bromopropanoate |
| InChI Key | INMAEXGIVZJYIJ-UHFFFAOYSA-N |
| Molecular Formula | C7H13BrO2 |
Butyl Lactate 98.0+%, TCI America™
CAS: 138-22-7 Molecular Formula: C7H14O3 Molecular Weight (g/mol): 146.19 MDL Number: MFCD00004519 InChI Key: MRABAEUHTLLEML-UHFFFAOYNA-N Synonym: butyl lactate,n-butyl lactate,lactic acid, butyl ester,propanoic acid, 2-hydroxy-, butyl ester,butyllactate,2-hydroxypropanoic acid butyl ester,butylester kyseliny mlecne,butyl alpha-hydroxypropionate,butyl lactate natural,fema no. 2205 PubChem CID: 8738 IUPAC Name: butyl 2-hydroxypropanoate SMILES: CCCCOC(=O)C(C)O
| PubChem CID | 8738 |
|---|---|
| CAS | 138-22-7 |
| Molecular Weight (g/mol) | 146.19 |
| MDL Number | MFCD00004519 |
| SMILES | CCCCOC(=O)C(C)O |
| Synonym | butyl lactate,n-butyl lactate,lactic acid, butyl ester,propanoic acid, 2-hydroxy-, butyl ester,butyllactate,2-hydroxypropanoic acid butyl ester,butylester kyseliny mlecne,butyl alpha-hydroxypropionate,butyl lactate natural,fema no. 2205 |
| IUPAC Name | butyl 2-hydroxypropanoate |
| InChI Key | MRABAEUHTLLEML-UHFFFAOYNA-N |
| Molecular Formula | C7H14O3 |
2-Ethoxyphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 213211-69-9 Molecular Formula: C8H11BO3 MDL Number: MFCD00674027 InChI Key: DGFCTCGCMKEILT-UHFFFAOYSA-N PubChem CID: 2734902 IUPAC Name: (2-ethoxyphenyl)boronic acid
| PubChem CID | 2734902 |
|---|---|
| CAS | 213211-69-9 |
| MDL Number | MFCD00674027 |
| IUPAC Name | (2-ethoxyphenyl)boronic acid |
| InChI Key | DGFCTCGCMKEILT-UHFFFAOYSA-N |
| Molecular Formula | C8H11BO3 |
Sodium 2-Oxobutyrate 98.0+%, TCI America™
CAS: 2013-26-5 Molecular Formula: C4H5NaO3 Molecular Weight (g/mol): 124.07 MDL Number: MFCD00064194 InChI Key: SUAMAHKUSIHRMR-UHFFFAOYSA-M Synonym: 2-Oxobutyric Acid Sodium Salt, Sodium 2-Ketobutyrate, 2-Ketobutyric Acid Sodium Salt PubChem CID: 23673454 IUPAC Name: sodium 2-oxobutanoate SMILES: [Na+].CCC(=O)C([O-])=O
| PubChem CID | 23673454 |
|---|---|
| CAS | 2013-26-5 |
| Molecular Weight (g/mol) | 124.07 |
| MDL Number | MFCD00064194 |
| SMILES | [Na+].CCC(=O)C([O-])=O |
| Synonym | 2-Oxobutyric Acid Sodium Salt, Sodium 2-Ketobutyrate, 2-Ketobutyric Acid Sodium Salt |
| IUPAC Name | sodium 2-oxobutanoate |
| InChI Key | SUAMAHKUSIHRMR-UHFFFAOYSA-M |
| Molecular Formula | C4H5NaO3 |
Sodium DL-Mandelate 99.0+%, TCI America™
CAS: 114-21-6 Molecular Formula: C8H7NaO3 Molecular Weight (g/mol): 174.131 MDL Number: MFCD00051122 InChI Key: FWDLHTBMGQEUDU-UHFFFAOYSA-M Synonym: DL-Mandelic Acid Sodium Salt PubChem CID: 23675514 IUPAC Name: sodium;2-hydroxy-2-phenylacetate SMILES: C1=CC=C(C=C1)C(C(=O)[O-])O.[Na+]
| PubChem CID | 23675514 |
|---|---|
| CAS | 114-21-6 |
| Molecular Weight (g/mol) | 174.131 |
| MDL Number | MFCD00051122 |
| SMILES | C1=CC=C(C=C1)C(C(=O)[O-])O.[Na+] |
| Synonym | DL-Mandelic Acid Sodium Salt |
| IUPAC Name | sodium;2-hydroxy-2-phenylacetate |
| InChI Key | FWDLHTBMGQEUDU-UHFFFAOYSA-M |
| Molecular Formula | C8H7NaO3 |
1,4-Phenylenediamine Sulfate 98.0+%, TCI America™
CAS: 16245-77-5 Molecular Formula: C6H10N2O4S Molecular Weight (g/mol): 206.22 MDL Number: MFCD00035510 InChI Key: UFPKLWVNKAMAPE-UHFFFAOYSA-N Synonym: p-phenylenediamine sulfate,benzene-1,4-diamine sulfate,1,4-diaminobenzene sulfate,1,4-phenylenediamine sulfate,1,4-benzenediamine, sulfate 1:1,unii-s7igm30961,benzene-1,4-diamine; sulfuric acid,1,4-benzenediamine, sulfate,benzene-1,4-diammonium sulphate,1,4-benzenediamine sulfate PubChem CID: 27769 IUPAC Name: benzene-1,4-diamine; sulfuric acid SMILES: OS(O)(=O)=O.NC1=CC=C(N)C=C1
| PubChem CID | 27769 |
|---|---|
| CAS | 16245-77-5 |
| Molecular Weight (g/mol) | 206.22 |
| MDL Number | MFCD00035510 |
| SMILES | OS(O)(=O)=O.NC1=CC=C(N)C=C1 |
| Synonym | p-phenylenediamine sulfate,benzene-1,4-diamine sulfate,1,4-diaminobenzene sulfate,1,4-phenylenediamine sulfate,1,4-benzenediamine, sulfate 1:1,unii-s7igm30961,benzene-1,4-diamine; sulfuric acid,1,4-benzenediamine, sulfate,benzene-1,4-diammonium sulphate,1,4-benzenediamine sulfate |
| IUPAC Name | benzene-1,4-diamine; sulfuric acid |
| InChI Key | UFPKLWVNKAMAPE-UHFFFAOYSA-N |
| Molecular Formula | C6H10N2O4S |
Diethyl DL-Malate 98.0+%, TCI America™
CAS: 7554-12-3 Molecular Formula: C8H14O5 Molecular Weight (g/mol): 190.20 MDL Number: MFCD00048556 InChI Key: VKNUORWMCINMRB-UHFFFAOYNA-N Synonym: DL-Apple Acid Diethyl Ester, DL-Malic Acid Diethyl Ester PubChem CID: 24197 ChEBI: CHEBI:87368 IUPAC Name: diethyl 2-hydroxybutanedioate SMILES: CCOC(=O)CC(C(=O)OCC)O
| PubChem CID | 24197 |
|---|---|
| CAS | 7554-12-3 |
| Molecular Weight (g/mol) | 190.20 |
| ChEBI | CHEBI:87368 |
| MDL Number | MFCD00048556 |
| SMILES | CCOC(=O)CC(C(=O)OCC)O |
| Synonym | DL-Apple Acid Diethyl Ester, DL-Malic Acid Diethyl Ester |
| IUPAC Name | diethyl 2-hydroxybutanedioate |
| InChI Key | VKNUORWMCINMRB-UHFFFAOYNA-N |
| Molecular Formula | C8H14O5 |
Dimethyl cis-1,2-Cyclohexanedicarboxylate 96.0+%, TCI America™
CAS: 1687-29-2 Molecular Formula: C10H16O4 Molecular Weight (g/mol): 200.23 MDL Number: MFCD00043768,MFCD21602391 InChI Key: AIACXWOETVLBIA-UHFFFAOYNA-N Synonym: cis-1,2-Cyclohexanedicarboxylic Acid Dimethyl Ester PubChem CID: 642993 IUPAC Name: 1,2-dimethyl cyclohexane-1,2-dicarboxylate SMILES: COC(=O)C1CCCCC1C(=O)OC
| PubChem CID | 642993 |
|---|---|
| CAS | 1687-29-2 |
| Molecular Weight (g/mol) | 200.23 |
| MDL Number | MFCD00043768,MFCD21602391 |
| SMILES | COC(=O)C1CCCCC1C(=O)OC |
| Synonym | cis-1,2-Cyclohexanedicarboxylic Acid Dimethyl Ester |
| IUPAC Name | 1,2-dimethyl cyclohexane-1,2-dicarboxylate |
| InChI Key | AIACXWOETVLBIA-UHFFFAOYNA-N |
| Molecular Formula | C10H16O4 |
Dimethyl cis-4-Cyclohexene-1,2-dicarboxylate 97.0+%, TCI America™
CAS: 4841-84-3 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.218 MDL Number: MFCD00209581 InChI Key: DVVAGRMJGUQHLI-OCAPTIKFSA-N Synonym: dimethyl cis-4-cyclohexene-1,2-dicarboxylate,dimethyl cis-1,2,3,6-tetrahydrophthalate,cis-dimethyl cyclohex-4-ene-1,2-dicarboxylate,dimethylcis-4-cyclohexene-1,2-dicarboxylate,1r, 6s-methyl 6-methoxycarbonyl-3-cyclohexenecarboxylate,4-cyclohexene-1alpha,2alpha-dicarboxylic acid dimethyl ester,1,2-dimethyl 1r,2s-cyclohex-4-ene-1,2-dicarboxylate,4-cyclohexene-1,2-dicarboxylicacid, dimethyl ester, 1r,2s-rel PubChem CID: 10867283 IUPAC Name: dimethyl (1R,2S)-cyclohex-4-ene-1,2-dicarboxylate SMILES: COC(=O)C1CC=CCC1C(=O)OC
| PubChem CID | 10867283 |
|---|---|
| CAS | 4841-84-3 |
| Molecular Weight (g/mol) | 198.218 |
| MDL Number | MFCD00209581 |
| SMILES | COC(=O)C1CC=CCC1C(=O)OC |
| Synonym | dimethyl cis-4-cyclohexene-1,2-dicarboxylate,dimethyl cis-1,2,3,6-tetrahydrophthalate,cis-dimethyl cyclohex-4-ene-1,2-dicarboxylate,dimethylcis-4-cyclohexene-1,2-dicarboxylate,1r, 6s-methyl 6-methoxycarbonyl-3-cyclohexenecarboxylate,4-cyclohexene-1alpha,2alpha-dicarboxylic acid dimethyl ester,1,2-dimethyl 1r,2s-cyclohex-4-ene-1,2-dicarboxylate,4-cyclohexene-1,2-dicarboxylicacid, dimethyl ester, 1r,2s-rel |
| IUPAC Name | dimethyl (1R,2S)-cyclohex-4-ene-1,2-dicarboxylate |
| InChI Key | DVVAGRMJGUQHLI-OCAPTIKFSA-N |
| Molecular Formula | C10H14O4 |
Dibenzo[b,f][1,4]thiazepin-11(10H)-one 98.0+%, TCI America™
CAS: 7-7-3159 Molecular Formula: C13H9NOS Molecular Weight (g/mol): 227.28 MDL Number: MFCD00901197 InChI Key: RTERDTBXBYNZIS-UHFFFAOYSA-N PubChem CID: 374829 IUPAC Name: 5H-benzo[b][1,4]benzothiazepin-6-one SMILES: C1=CC=C2C(=C1)C(=O)NC3=CC=CC=C3S2
| PubChem CID | 374829 |
|---|---|
| CAS | 7-7-3159 |
| Molecular Weight (g/mol) | 227.28 |
| MDL Number | MFCD00901197 |
| SMILES | C1=CC=C2C(=C1)C(=O)NC3=CC=CC=C3S2 |
| IUPAC Name | 5H-benzo[b][1,4]benzothiazepin-6-one |
| InChI Key | RTERDTBXBYNZIS-UHFFFAOYSA-N |
| Molecular Formula | C13H9NOS |
Trimethyl Phosphonoacetate 96.0+%, TCI America™
CAS: 5927-18-4 Molecular Formula: C5H11O5P Molecular Weight (g/mol): 182.112 MDL Number: MFCD00008452 InChI Key: SIGOIUCRXKUEIG-UHFFFAOYSA-N Synonym: trimethyl phosphonoacetate,methyl 2-dimethoxyphosphoryl acetate,trimethyl phosphonacetate,trimethylacetyl phosphate,acetic acid, dimethoxyphosphinyl-, methyl ester,methyl-dimethoxyphosphoryl acetat,trimethyl phosphoroacetate,phosphonoacetic acid trimethyl ester,methyl dimethylphosphonoacetate,methyl dimethoxyphosphoryl acetate PubChem CID: 80029 IUPAC Name: methyl 2-dimethoxyphosphorylacetate SMILES: COC(=O)CP(=O)(OC)OC
| PubChem CID | 80029 |
|---|---|
| CAS | 5927-18-4 |
| Molecular Weight (g/mol) | 182.112 |
| MDL Number | MFCD00008452 |
| SMILES | COC(=O)CP(=O)(OC)OC |
| Synonym | trimethyl phosphonoacetate,methyl 2-dimethoxyphosphoryl acetate,trimethyl phosphonacetate,trimethylacetyl phosphate,acetic acid, dimethoxyphosphinyl-, methyl ester,methyl-dimethoxyphosphoryl acetat,trimethyl phosphoroacetate,phosphonoacetic acid trimethyl ester,methyl dimethylphosphonoacetate,methyl dimethoxyphosphoryl acetate |
| IUPAC Name | methyl 2-dimethoxyphosphorylacetate |
| InChI Key | SIGOIUCRXKUEIG-UHFFFAOYSA-N |
| Molecular Formula | C5H11O5P |
Propyl Methanesulfonate 98.0+%, TCI America™
CAS: 1912-31-8 Molecular Formula: C4H10O3S Molecular Weight (g/mol): 138.181 MDL Number: MFCD00007561 InChI Key: DKORSYDQYFVQNS-UHFFFAOYSA-N Synonym: Methanesulfonic Acid Propyl Ester PubChem CID: 74705 IUPAC Name: propyl methanesulfonate SMILES: CCCOS(=O)(=O)C
| PubChem CID | 74705 |
|---|---|
| CAS | 1912-31-8 |
| Molecular Weight (g/mol) | 138.181 |
| MDL Number | MFCD00007561 |
| SMILES | CCCOS(=O)(=O)C |
| Synonym | Methanesulfonic Acid Propyl Ester |
| IUPAC Name | propyl methanesulfonate |
| InChI Key | DKORSYDQYFVQNS-UHFFFAOYSA-N |
| Molecular Formula | C4H10O3S |
2,2,3,3,3-Pentafluoropropyl p-Toluenesulfonate 98.0+%, TCI America™
CAS: 565-42-4 Molecular Formula: C10H9F5O3S Molecular Weight (g/mol): 304.23 MDL Number: MFCD02093346 InChI Key: JBHQQXONFHOEQU-UHFFFAOYSA-N Synonym: p-Toluenesulfonic Acid 2,2,3,3,3-Pentafluoropropyl Ester, 2,2,3,3,3-Pentafluoropropyl Tosylate PubChem CID: 2776017 IUPAC Name: 2,2,3,3,3-pentafluoropropyl 4-methylbenzene-1-sulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC(F)(F)C(F)(F)F
| PubChem CID | 2776017 |
|---|---|
| CAS | 565-42-4 |
| Molecular Weight (g/mol) | 304.23 |
| MDL Number | MFCD02093346 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(F)(F)C(F)(F)F |
| Synonym | p-Toluenesulfonic Acid 2,2,3,3,3-Pentafluoropropyl Ester, 2,2,3,3,3-Pentafluoropropyl Tosylate |
| IUPAC Name | 2,2,3,3,3-pentafluoropropyl 4-methylbenzene-1-sulfonate |
| InChI Key | JBHQQXONFHOEQU-UHFFFAOYSA-N |
| Molecular Formula | C10H9F5O3S |
Diethyl 2,5-Dioxahexanedioate 98.0+%, TCI America™
CAS: 35466-87-6 Molecular Formula: C8H14O6 Molecular Weight (g/mol): 206.194 MDL Number: MFCD00460005 InChI Key: MYNUAGYBVSQRFN-UHFFFAOYSA-N Synonym: 2,5-Dioxahexanedioic Acid Diethyl Ester PubChem CID: 13172823 IUPAC Name: 2-ethoxycarbonyloxyethyl ethyl carbonate SMILES: CCOC(=O)OCCOC(=O)OCC
| PubChem CID | 13172823 |
|---|---|
| CAS | 35466-87-6 |
| Molecular Weight (g/mol) | 206.194 |
| MDL Number | MFCD00460005 |
| SMILES | CCOC(=O)OCCOC(=O)OCC |
| Synonym | 2,5-Dioxahexanedioic Acid Diethyl Ester |
| IUPAC Name | 2-ethoxycarbonyloxyethyl ethyl carbonate |
| InChI Key | MYNUAGYBVSQRFN-UHFFFAOYSA-N |
| Molecular Formula | C8H14O6 |