Organic acids and derivatives
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Methyl trifluoroacetate, 99%
CAS: 431-47-0 Molecular Formula: C3H3F3O2 Molecular Weight (g/mol): 128.05 MDL Number: MFCD00000417 InChI Key: VMVNZNXAVJHNDJ-UHFFFAOYSA-N Synonym: methyl trifluoroacetate,trifluoroacetic acid methyl ester,acetic acid, trifluoro-, methyl ester,methyltrifluoroacetate,2,2,2-trifluoromethylacetate,acetic acid, 2,2,2-trifluoro-, methyl ester,methyl trifluoracetate,tfamt,methyl triflouroacetate,pubchem12490 PubChem CID: 9893 IUPAC Name: methyl 2,2,2-trifluoroacetate SMILES: COC(=O)C(F)(F)F
| PubChem CID | 9893 |
|---|---|
| CAS | 431-47-0 |
| Molecular Weight (g/mol) | 128.05 |
| MDL Number | MFCD00000417 |
| SMILES | COC(=O)C(F)(F)F |
| Synonym | methyl trifluoroacetate,trifluoroacetic acid methyl ester,acetic acid, trifluoro-, methyl ester,methyltrifluoroacetate,2,2,2-trifluoromethylacetate,acetic acid, 2,2,2-trifluoro-, methyl ester,methyl trifluoracetate,tfamt,methyl triflouroacetate,pubchem12490 |
| IUPAC Name | methyl 2,2,2-trifluoroacetate |
| InChI Key | VMVNZNXAVJHNDJ-UHFFFAOYSA-N |
| Molecular Formula | C3H3F3O2 |
Thermo Scientific Chemicals 1,2,3,4,6-Penta-O-acetyl-D-mannopyranose, 98%
CAS: 25941-03-1 Molecular Formula: C16H22O11 Molecular Weight (g/mol): 390.341 MDL Number: MFCD05864874 InChI Key: LPTITAGPBXDDGR-WHWZVRATSA-N Synonym: 1,2,3,4,6-penta-o-acetyl-d-mannopyranose,d-mannopyranose pentaacetate,3s,4s,5r,6r-6-acetoxymethyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,2r,3r,4s,5s-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,mannopyranose pentaacetate,d-mannopyranose, pentaacetate,1,2,3,4,6-pentaacetate d-mannopyranose,d-mannopyranose,1,2,3,4,6-pentaacetate,1,2,3,4,6-penta-o-acetyl-dmannopyranose,1,2,3,4,6-penta-o-acetyl-alpha,beta-d-mannose PubChem CID: 11811209 IUPAC Name: [(2R,3R,4S,5S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
| PubChem CID | 11811209 |
|---|---|
| CAS | 25941-03-1 |
| Molecular Weight (g/mol) | 390.341 |
| MDL Number | MFCD05864874 |
| SMILES | CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| Synonym | 1,2,3,4,6-penta-o-acetyl-d-mannopyranose,d-mannopyranose pentaacetate,3s,4s,5r,6r-6-acetoxymethyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,2r,3r,4s,5s-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,mannopyranose pentaacetate,d-mannopyranose, pentaacetate,1,2,3,4,6-pentaacetate d-mannopyranose,d-mannopyranose,1,2,3,4,6-pentaacetate,1,2,3,4,6-penta-o-acetyl-dmannopyranose,1,2,3,4,6-penta-o-acetyl-alpha,beta-d-mannose |
| IUPAC Name | [(2R,3R,4S,5S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate |
| InChI Key | LPTITAGPBXDDGR-WHWZVRATSA-N |
| Molecular Formula | C16H22O11 |
2-Bromoacrylic acid, 95%
CAS: 10443-65-9 Molecular Formula: C3H3BrO2 Molecular Weight (g/mol): 150.96 MDL Number: MFCD00014333 InChI Key: HMENQNSSJFLQOP-UHFFFAOYSA-N Synonym: 2-bromoacrylic acid,bromoacrylic acid,ccris 5478,.alpha.-bromoacrylic acid,2-bromo-acrylic acid,alpha-bromo acrylic acid,2-propenoic acid, bromo,acmc-1c0k4,2-propenoic acid, 2-bromo PubChem CID: 82633 IUPAC Name: 2-bromoprop-2-enoic acid SMILES: OC(=O)C(Br)=C
| PubChem CID | 82633 |
|---|---|
| CAS | 10443-65-9 |
| Molecular Weight (g/mol) | 150.96 |
| MDL Number | MFCD00014333 |
| SMILES | OC(=O)C(Br)=C |
| Synonym | 2-bromoacrylic acid,bromoacrylic acid,ccris 5478,.alpha.-bromoacrylic acid,2-bromo-acrylic acid,alpha-bromo acrylic acid,2-propenoic acid, bromo,acmc-1c0k4,2-propenoic acid, 2-bromo |
| IUPAC Name | 2-bromoprop-2-enoic acid |
| InChI Key | HMENQNSSJFLQOP-UHFFFAOYSA-N |
| Molecular Formula | C3H3BrO2 |
| CAS | 5460-08-2 |
|---|---|
| MDL Number | MFCD00051916 |
5-Norbornene-2-carboxylic acid, predominantly endo isomer, 97%
CAS: 120-74-1 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00085356 InChI Key: FYGUSUBEMUKACF-UHFFFAOYSA-N Synonym: 5-norbornene-2-carboxylic acid,bicyclo 2.2.1 hept-5-ene-2-carboxylic acid,norbornenecarboxylic acid,exo-5-norbornene-2-carboxylic acid,5-norbornene-2-carboxylic acid, exo,5-norbornene-2-carboxylic acid 8ci,bicyclo 2.2.1 hept-2-ene-5-carboxylic acid,bicyclo 2.2.1-5-heptene-2-carboxylic acid,norborn-5-ene-2-carboxylic acid PubChem CID: 78949 IUPAC Name: bicyclo[2.2.1]hept-2-ene-5-carboxylic acid SMILES: C1C2CC(C1C=C2)C(=O)O
| PubChem CID | 78949 |
|---|---|
| CAS | 120-74-1 |
| Molecular Weight (g/mol) | 138.166 |
| MDL Number | MFCD00085356 |
| SMILES | C1C2CC(C1C=C2)C(=O)O |
| Synonym | 5-norbornene-2-carboxylic acid,bicyclo 2.2.1 hept-5-ene-2-carboxylic acid,norbornenecarboxylic acid,exo-5-norbornene-2-carboxylic acid,5-norbornene-2-carboxylic acid, exo,5-norbornene-2-carboxylic acid 8ci,bicyclo 2.2.1 hept-2-ene-5-carboxylic acid,bicyclo 2.2.1-5-heptene-2-carboxylic acid,norborn-5-ene-2-carboxylic acid |
| IUPAC Name | bicyclo[2.2.1]hept-2-ene-5-carboxylic acid |
| InChI Key | FYGUSUBEMUKACF-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
Acethydrazide, 95%
CAS: 1068-57-1 Molecular Formula: C2H6N2O Molecular Weight (g/mol): 74.08 MDL Number: MFCD00007610 InChI Key: OFLXLNCGODUUOT-UHFFFAOYSA-N Synonym: acethydrazide,acetylhydrazine,acetic hydrazide,acetic acid hydrazide,acetyl hydrazide,monoacetylhydrazine,n-acetylhydrazine,ethanehydrazonic acid,acetic acid, hydrazide,acetyl hydrazine PubChem CID: 14039 ChEBI: CHEBI:48978 IUPAC Name: acetohydrazide SMILES: CC(=O)NN
| PubChem CID | 14039 |
|---|---|
| CAS | 1068-57-1 |
| Molecular Weight (g/mol) | 74.08 |
| ChEBI | CHEBI:48978 |
| MDL Number | MFCD00007610 |
| SMILES | CC(=O)NN |
| Synonym | acethydrazide,acetylhydrazine,acetic hydrazide,acetic acid hydrazide,acetyl hydrazide,monoacetylhydrazine,n-acetylhydrazine,ethanehydrazonic acid,acetic acid, hydrazide,acetyl hydrazine |
| IUPAC Name | acetohydrazide |
| InChI Key | OFLXLNCGODUUOT-UHFFFAOYSA-N |
| Molecular Formula | C2H6N2O |
2-Nitrobenzeneboronic acid, 96%
CAS: 5570-19-4 Molecular Formula: C6H6BNO4 Molecular Weight (g/mol): 166.93 MDL Number: MFCD00161358 InChI Key: SFUIGUOONHIVLG-UHFFFAOYSA-N Synonym: 2-nitrophenyl boronic acid,2-nitrobenzeneboronic acid,boronic acid, nitrophenyl,o-nitrophenylboronic acid,2-borononitrobenzene,pubchem8087,nitrobenzeneboronic acid,pubchem16455,2-nitrophenylboronicacid PubChem CID: 2773548 IUPAC Name: (2-nitrophenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1[N+]([O-])=O
| PubChem CID | 2773548 |
|---|---|
| CAS | 5570-19-4 |
| Molecular Weight (g/mol) | 166.93 |
| MDL Number | MFCD00161358 |
| SMILES | OB(O)C1=CC=CC=C1[N+]([O-])=O |
| Synonym | 2-nitrophenyl boronic acid,2-nitrobenzeneboronic acid,boronic acid, nitrophenyl,o-nitrophenylboronic acid,2-borononitrobenzene,pubchem8087,nitrobenzeneboronic acid,pubchem16455,2-nitrophenylboronicacid |
| IUPAC Name | (2-nitrophenyl)boronic acid |
| InChI Key | SFUIGUOONHIVLG-UHFFFAOYSA-N |
| Molecular Formula | C6H6BNO4 |
Dibenzyl phosphate, 98%
CAS: 1623-08-1 Molecular Formula: C14H15O4P Molecular Weight (g/mol): 278.23 MDL Number: MFCD00004775 InChI Key: HDFFVHSMHLDSLO-UHFFFAOYSA-N Synonym: dibenzyl phosphate,phosphoric acid dibenzyl ester,dibenzylphosphoric acid,unii-y65r35lz0s,phosphoric acid, bis phenylmethyl ester,dibenzylphosphate,creatine phosphate disodium impurity 4,dibenzyloxyphosphinic acid,dibenzyl-phosphate,pubchem14883 PubChem CID: 74189 IUPAC Name: dibenzyl hydrogen phosphate SMILES: C1=CC=C(C=C1)COP(=O)(O)OCC2=CC=CC=C2
| PubChem CID | 74189 |
|---|---|
| CAS | 1623-08-1 |
| Molecular Weight (g/mol) | 278.23 |
| MDL Number | MFCD00004775 |
| SMILES | C1=CC=C(C=C1)COP(=O)(O)OCC2=CC=CC=C2 |
| Synonym | dibenzyl phosphate,phosphoric acid dibenzyl ester,dibenzylphosphoric acid,unii-y65r35lz0s,phosphoric acid, bis phenylmethyl ester,dibenzylphosphate,creatine phosphate disodium impurity 4,dibenzyloxyphosphinic acid,dibenzyl-phosphate,pubchem14883 |
| IUPAC Name | dibenzyl hydrogen phosphate |
| InChI Key | HDFFVHSMHLDSLO-UHFFFAOYSA-N |
| Molecular Formula | C14H15O4P |
Diethyl benzylphosphonate, 99%
CAS: 1080-32-6 Molecular Formula: C11H17O3P Molecular Weight (g/mol): 228.23 InChI Key: AIPRAPZUGUTQKX-UHFFFAOYSA-N Synonym: diethyl benzylphosphonate,benzylphosphonic acid diethyl ester,diethoxyphosphonomethylbenzene,diethyl phosphonate, benzyl,phosphonic acid, phenylmethyl-, diethyl ester,unii-t6d4qwt656,diethylbenzylphosphonate,phosphonic acid, benzyl-, diethyl ester,diethyl phenylmethyl phosphonate,phosphonic acid, p-phenylmethyl-, diethyl ester PubChem CID: 14122 IUPAC Name: diethoxyphosphorylmethylbenzene SMILES: CCOP(=O)(CC1=CC=CC=C1)OCC
| PubChem CID | 14122 |
|---|---|
| CAS | 1080-32-6 |
| Molecular Weight (g/mol) | 228.23 |
| SMILES | CCOP(=O)(CC1=CC=CC=C1)OCC |
| Synonym | diethyl benzylphosphonate,benzylphosphonic acid diethyl ester,diethoxyphosphonomethylbenzene,diethyl phosphonate, benzyl,phosphonic acid, phenylmethyl-, diethyl ester,unii-t6d4qwt656,diethylbenzylphosphonate,phosphonic acid, benzyl-, diethyl ester,diethyl phenylmethyl phosphonate,phosphonic acid, p-phenylmethyl-, diethyl ester |
| IUPAC Name | diethoxyphosphorylmethylbenzene |
| InChI Key | AIPRAPZUGUTQKX-UHFFFAOYSA-N |
| Molecular Formula | C11H17O3P |
Ethyl 4-bromocrotonate, 75%, tech.
CAS: 37746-78-4 Molecular Formula: C6H9BrO2 Molecular Weight (g/mol): 193.04 MDL Number: MFCD00000247 InChI Key: FHGRPBSDPBRTLS-ONEGZZNKSA-N Synonym: ethyl 4-bromocrotonate,e-ethyl 4-bromobut-2-enoate,ethyl 4-bromobut-2-enoate,4-bromocrotonic acid ethyl ester,ethyl 2e-4-bromobut-2-enoate,2-butenoic acid, 4-bromo-, ethyl ester, e,2-butenoic acid, 4-bromo-, ethyl ester,ethyl e-4-bromo-2-butenoate,ethyl e-4-bromobut-2-enoate,ethyl trans-4-bromo-2-butenoate PubChem CID: 5373944 IUPAC Name: ethyl (E)-4-bromobut-2-enoate SMILES: CCOC(=O)C=CCBr
| PubChem CID | 5373944 |
|---|---|
| CAS | 37746-78-4 |
| Molecular Weight (g/mol) | 193.04 |
| MDL Number | MFCD00000247 |
| SMILES | CCOC(=O)C=CCBr |
| Synonym | ethyl 4-bromocrotonate,e-ethyl 4-bromobut-2-enoate,ethyl 4-bromobut-2-enoate,4-bromocrotonic acid ethyl ester,ethyl 2e-4-bromobut-2-enoate,2-butenoic acid, 4-bromo-, ethyl ester, e,2-butenoic acid, 4-bromo-, ethyl ester,ethyl e-4-bromo-2-butenoate,ethyl e-4-bromobut-2-enoate,ethyl trans-4-bromo-2-butenoate |
| IUPAC Name | ethyl (E)-4-bromobut-2-enoate |
| InChI Key | FHGRPBSDPBRTLS-ONEGZZNKSA-N |
| Molecular Formula | C6H9BrO2 |
Indole-2-carboxylic acid, 99%
CAS: 1477-50-5 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005611 InChI Key: HCUARRIEZVDMPT-UHFFFAOYSA-N Synonym: indole-2-carboxylic acid,2-carboxyindole,2-indolecarboxylic acid,indol-2-carboxylic acid,1h-indolecarboxylic acid,indole-2-carboxylate,2-indolylformic acid,2-indole carboxylic acid,1h-indol-2-carbons,carboxyindole PubChem CID: 72899 IUPAC Name: 1H-indole-2-carboxylic acid SMILES: OC(=O)C1=CC2=CC=CC=C2N1
| PubChem CID | 72899 |
|---|---|
| CAS | 1477-50-5 |
| Molecular Weight (g/mol) | 161.16 |
| MDL Number | MFCD00005611 |
| SMILES | OC(=O)C1=CC2=CC=CC=C2N1 |
| Synonym | indole-2-carboxylic acid,2-carboxyindole,2-indolecarboxylic acid,indol-2-carboxylic acid,1h-indolecarboxylic acid,indole-2-carboxylate,2-indolylformic acid,2-indole carboxylic acid,1h-indol-2-carbons,carboxyindole |
| IUPAC Name | 1H-indole-2-carboxylic acid |
| InChI Key | HCUARRIEZVDMPT-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO2 |
Cyclopropanecarboxylic acid chloride, 98%
CAS: 4023-34-1 Molecular Formula: C4H5ClO Molecular Weight (g/mol): 104.54 InChI Key: ZOOSILUVXHVRJE-UHFFFAOYSA-N Synonym: cyclopropanecarboxylic acid chloride,cyclopropane carbonyl chloride,cyclopropylcarboxyl chloride,chloroformyl cyclopropane,cyclopropylcarbonyl chloride,chlorocarbonyl cyclopropane,cyclopropyl carbonyl chloride,cyclopropyl carboxylic chloride,cyclopropane carboxylic acid chloride,cyclopropanoyl chloride PubChem CID: 77637 IUPAC Name: cyclopropanecarbonyl chloride SMILES: C1CC1C(=O)Cl
| PubChem CID | 77637 |
|---|---|
| CAS | 4023-34-1 |
| Molecular Weight (g/mol) | 104.54 |
| SMILES | C1CC1C(=O)Cl |
| Synonym | cyclopropanecarboxylic acid chloride,cyclopropane carbonyl chloride,cyclopropylcarboxyl chloride,chloroformyl cyclopropane,cyclopropylcarbonyl chloride,chlorocarbonyl cyclopropane,cyclopropyl carbonyl chloride,cyclopropyl carboxylic chloride,cyclopropane carboxylic acid chloride,cyclopropanoyl chloride |
| IUPAC Name | cyclopropanecarbonyl chloride |
| InChI Key | ZOOSILUVXHVRJE-UHFFFAOYSA-N |
| Molecular Formula | C4H5ClO |
Sodium formate, 99%
CAS: 141-53-7 Molecular Formula: CHNaO2 Molecular Weight (g/mol): 68.007 MDL Number: MFCD00013101 InChI Key: HLBBKKJFGFRGMU-UHFFFAOYSA-M Synonym: sodium formate,formic acid, sodium salt,salachlor,formic acid sodium salt,formic acid, na salt,sodium formate, refined,sodium formiate,mravencan sodny czech,ccris 1037,hsdb 744 PubChem CID: 2723810 ChEBI: CHEBI:62965 IUPAC Name: sodium;formate SMILES: C(=O)[O-].[Na+]
| PubChem CID | 2723810 |
|---|---|
| CAS | 141-53-7 |
| Molecular Weight (g/mol) | 68.007 |
| ChEBI | CHEBI:62965 |
| MDL Number | MFCD00013101 |
| SMILES | C(=O)[O-].[Na+] |
| Synonym | sodium formate,formic acid, sodium salt,salachlor,formic acid sodium salt,formic acid, na salt,sodium formate, refined,sodium formiate,mravencan sodny czech,ccris 1037,hsdb 744 |
| IUPAC Name | sodium;formate |
| InChI Key | HLBBKKJFGFRGMU-UHFFFAOYSA-M |
| Molecular Formula | CHNaO2 |
1-Adamantanecarboxylic acid, 99%
CAS: 828-51-3 Molecular Formula: C11H16O2 Molecular Weight (g/mol): 180.25 MDL Number: MFCD00074720 InChI Key: JIMXXGFJRDUSRO-UHFFFAOYSA-N Synonym: 1-adamantanecarboxylic acid,1-carboxyadamantane,adamantanecarboxylic acid,adamantoic acid,1-adamantoic acid,3-adamantanecarboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylic acid,tricyclo 3.3.1.1'3,7 decane-1-carboxylic acid,tricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid,3r,5s,7s-adamantane-1-carboxylic acid PubChem CID: 13235 IUPAC Name: adamantane-1-carboxylic acid SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)O
| PubChem CID | 13235 |
|---|---|
| CAS | 828-51-3 |
| Molecular Weight (g/mol) | 180.25 |
| MDL Number | MFCD00074720 |
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)O |
| Synonym | 1-adamantanecarboxylic acid,1-carboxyadamantane,adamantanecarboxylic acid,adamantoic acid,1-adamantoic acid,3-adamantanecarboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylic acid,tricyclo 3.3.1.1'3,7 decane-1-carboxylic acid,tricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid,3r,5s,7s-adamantane-1-carboxylic acid |
| IUPAC Name | adamantane-1-carboxylic acid |
| InChI Key | JIMXXGFJRDUSRO-UHFFFAOYSA-N |
| Molecular Formula | C11H16O2 |