Organic acids and derivatives
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alpha-Bromophenylacetic Acid 98.0+%, TCI America™
CAS: 4870-65-9 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00004206 InChI Key: WAKFRZBXTKUFIW-UHFFFAOYSA-N Synonym: alpha-bromophenylacetic acid,bromo phenyl acetic acid,.alpha.-bromophenylacetic acid,bromophenylacetic acid,bromo-phenyl-acetic acid,bromo-phenylacetic acid,dl-.alpha.-bromophenylacetic acid,benzeneacetic acid, .alpha.-bromo,phenylbromoacetic acid,bromo phenyl aceticacid PubChem CID: 97919 IUPAC Name: 2-bromo-2-phenylacetic acid SMILES: C1=CC=C(C=C1)C(C(=O)O)Br
| PubChem CID | 97919 |
|---|---|
| CAS | 4870-65-9 |
| Molecular Weight (g/mol) | 215.046 |
| MDL Number | MFCD00004206 |
| SMILES | C1=CC=C(C=C1)C(C(=O)O)Br |
| Synonym | alpha-bromophenylacetic acid,bromo phenyl acetic acid,.alpha.-bromophenylacetic acid,bromophenylacetic acid,bromo-phenyl-acetic acid,bromo-phenylacetic acid,dl-.alpha.-bromophenylacetic acid,benzeneacetic acid, .alpha.-bromo,phenylbromoacetic acid,bromo phenyl aceticacid |
| IUPAC Name | 2-bromo-2-phenylacetic acid |
| InChI Key | WAKFRZBXTKUFIW-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
Ethyl 2-Fluoropropionate 97.0+%, TCI America™
CAS: 349-43-9 Molecular Formula: C5H9FO2 Molecular Weight (g/mol): 120.12 MDL Number: MFCD01320801 InChI Key: ODMITNOQNBVSQG-UHFFFAOYNA-N Synonym: 2-Fluoropropionic Acid Ethyl Ester PubChem CID: 265947 IUPAC Name: ethyl 2-fluoropropanoate SMILES: CCOC(=O)C(C)F
| PubChem CID | 265947 |
|---|---|
| CAS | 349-43-9 |
| Molecular Weight (g/mol) | 120.12 |
| MDL Number | MFCD01320801 |
| SMILES | CCOC(=O)C(C)F |
| Synonym | 2-Fluoropropionic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-fluoropropanoate |
| InChI Key | ODMITNOQNBVSQG-UHFFFAOYNA-N |
| Molecular Formula | C5H9FO2 |
Ethyl 3-Mercaptopropionate 98.0+%, TCI America™
CAS: 5466-06-8 Molecular Formula: C5H10O2S Molecular Weight (g/mol): 134.19 MDL Number: MFCD00004896 InChI Key: CJQWLNNCQIHKHP-UHFFFAOYSA-N Synonym: ethyl 3-mercaptopropionate,propanoic acid, 3-mercapto-, ethyl ester,3-mercaptopropanoic acid ethyl ester,3-mercaptopropionic acid ethyl ester,ethyl 3-mercaptopropanoate,ethyl beta-mercaptopropionate,unii-22gqz8p70d,propionic acid, 3-mercapto-, ethyl ester,ethyl 3-mercaptopropanoic acid,ethyl .beta.-mercaptopropionate PubChem CID: 21625 IUPAC Name: ethyl 3-sulfanylpropanoate SMILES: CCOC(=O)CCS
| PubChem CID | 21625 |
|---|---|
| CAS | 5466-06-8 |
| Molecular Weight (g/mol) | 134.19 |
| MDL Number | MFCD00004896 |
| SMILES | CCOC(=O)CCS |
| Synonym | ethyl 3-mercaptopropionate,propanoic acid, 3-mercapto-, ethyl ester,3-mercaptopropanoic acid ethyl ester,3-mercaptopropionic acid ethyl ester,ethyl 3-mercaptopropanoate,ethyl beta-mercaptopropionate,unii-22gqz8p70d,propionic acid, 3-mercapto-, ethyl ester,ethyl 3-mercaptopropanoic acid,ethyl .beta.-mercaptopropionate |
| IUPAC Name | ethyl 3-sulfanylpropanoate |
| InChI Key | CJQWLNNCQIHKHP-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2S |
4-Hydroxybenzamide 98.0+%, TCI America™
CAS: 619-57-8 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007997 InChI Key: QXSAKPUBHTZHKW-UHFFFAOYSA-N Synonym: benzamide, 4-hydroxy,4-hydroxy-benzamide,p-hydroxybenzamide,unii-9ou5yd093j,4-hydroxy benzamide,1,3,4,9-tetrahydro-2-hydroxybenzoyl-9-4-hydroxyphenyl methyl-6-methoxy-2h-pyrido 3,4-b indole,4-oxidanylbenzamide,acmc-1apvc,para-hydroxybenzoic amide PubChem CID: 65052 IUPAC Name: 4-hydroxybenzamide SMILES: NC(=O)C1=CC=C(O)C=C1
| PubChem CID | 65052 |
|---|---|
| CAS | 619-57-8 |
| Molecular Weight (g/mol) | 137.14 |
| MDL Number | MFCD00007997 |
| SMILES | NC(=O)C1=CC=C(O)C=C1 |
| Synonym | benzamide, 4-hydroxy,4-hydroxy-benzamide,p-hydroxybenzamide,unii-9ou5yd093j,4-hydroxy benzamide,1,3,4,9-tetrahydro-2-hydroxybenzoyl-9-4-hydroxyphenyl methyl-6-methoxy-2h-pyrido 3,4-b indole,4-oxidanylbenzamide,acmc-1apvc,para-hydroxybenzoic amide |
| IUPAC Name | 4-hydroxybenzamide |
| InChI Key | QXSAKPUBHTZHKW-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
Butyl Isovalerate 98.0+%, TCI America™
CAS: 109-19-3 Molecular Formula: C9H18O2 Molecular Weight (g/mol): 158.24 MDL Number: MFCD00048775 InChI Key: AYWJSCLAAPJZEF-UHFFFAOYSA-N Synonym: Isovaleric Acid Butyl Ester PubChem CID: 7981 IUPAC Name: butyl 3-methylbutanoate SMILES: CCCCOC(=O)CC(C)C
| PubChem CID | 7981 |
|---|---|
| CAS | 109-19-3 |
| Molecular Weight (g/mol) | 158.24 |
| MDL Number | MFCD00048775 |
| SMILES | CCCCOC(=O)CC(C)C |
| Synonym | Isovaleric Acid Butyl Ester |
| IUPAC Name | butyl 3-methylbutanoate |
| InChI Key | AYWJSCLAAPJZEF-UHFFFAOYSA-N |
| Molecular Formula | C9H18O2 |
N,N-Diisopropylformamide 98.0+%, TCI America™
CAS: 2700-30-3 Molecular Formula: C7H15NO Molecular Weight (g/mol): 129.203 MDL Number: MFCD00008867 InChI Key: UNBDDZDKBWPHAX-UHFFFAOYSA-N Synonym: n,n-diisopropylformamide,formamide, n,n-bis 1-methylethyl,n-formyldiisopropylamine,diisopropylformamide,n,n-bis 1-methylethyl formamide,nn-di-iso-propylformamide,formamide, n,n-diisopropyl,formamide, bis 1-methylethyl,n,n-bis methylethyl carboxamide,1y1&nvhy1&1 PubChem CID: 75912 IUPAC Name: N,N-di(propan-2-yl)formamide SMILES: CC(C)N(C=O)C(C)C
| PubChem CID | 75912 |
|---|---|
| CAS | 2700-30-3 |
| Molecular Weight (g/mol) | 129.203 |
| MDL Number | MFCD00008867 |
| SMILES | CC(C)N(C=O)C(C)C |
| Synonym | n,n-diisopropylformamide,formamide, n,n-bis 1-methylethyl,n-formyldiisopropylamine,diisopropylformamide,n,n-bis 1-methylethyl formamide,nn-di-iso-propylformamide,formamide, n,n-diisopropyl,formamide, bis 1-methylethyl,n,n-bis methylethyl carboxamide,1y1&nvhy1&1 |
| IUPAC Name | N,N-di(propan-2-yl)formamide |
| InChI Key | UNBDDZDKBWPHAX-UHFFFAOYSA-N |
| Molecular Formula | C7H15NO |
2-Cyclohexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 97.0+%, TCI America™
CAS: 87100-15-0 Molecular Formula: C12H23BO2 Molecular Weight (g/mol): 210.124 MDL Number: MFCD04038749 InChI Key: OUEVCDGYTKLNMJ-UHFFFAOYSA-N Synonym: cyclohexylboronic acid pinacol ester,1,3,2-dioxaborolane, 2-cyclohexyl-4,4,5,5-tetramethyl,cyclohexylboronic acid, pinacol ester,4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl cyclohexane,pubchem7924,cyclohexylboronic acid, pinacol eser,1-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl cyclohexane PubChem CID: 3668596 IUPAC Name: 2-cyclohexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2CCCCC2
| PubChem CID | 3668596 |
|---|---|
| CAS | 87100-15-0 |
| Molecular Weight (g/mol) | 210.124 |
| MDL Number | MFCD04038749 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2CCCCC2 |
| Synonym | cyclohexylboronic acid pinacol ester,1,3,2-dioxaborolane, 2-cyclohexyl-4,4,5,5-tetramethyl,cyclohexylboronic acid, pinacol ester,4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl cyclohexane,pubchem7924,cyclohexylboronic acid, pinacol eser,1-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl cyclohexane |
| IUPAC Name | 2-cyclohexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | OUEVCDGYTKLNMJ-UHFFFAOYSA-N |
| Molecular Formula | C12H23BO2 |
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 |
Oxamide 98.0+%, TCI America™
CAS: 471-46-5 Molecular Formula: C2H4N2O2 Molecular Weight (g/mol): 88.066 MDL Number: MFCD00008007 InChI Key: YIKSCQDJHCMVMK-UHFFFAOYSA-N Synonym: ethanediamide,oxalamide,oxamimidic acid,oxalic acid diamide,diaminoglyoxal,oxamid,amid kyseliny stavelove,formimidic acid, 1-carbamoyl,oxamid czech,unii-sbe4m0223e PubChem CID: 10113 ChEBI: CHEBI:48248 IUPAC Name: oxamide SMILES: C(=O)(C(=O)N)N
| PubChem CID | 10113 |
|---|---|
| CAS | 471-46-5 |
| Molecular Weight (g/mol) | 88.066 |
| ChEBI | CHEBI:48248 |
| MDL Number | MFCD00008007 |
| SMILES | C(=O)(C(=O)N)N |
| Synonym | ethanediamide,oxalamide,oxamimidic acid,oxalic acid diamide,diaminoglyoxal,oxamid,amid kyseliny stavelove,formimidic acid, 1-carbamoyl,oxamid czech,unii-sbe4m0223e |
| IUPAC Name | oxamide |
| InChI Key | YIKSCQDJHCMVMK-UHFFFAOYSA-N |
| Molecular Formula | C2H4N2O2 |
3-Cyano-4-fluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 214210-21-6 Molecular Formula: C7H5BFNO2 Molecular Weight (g/mol): 164.93 MDL Number: MFCD03095130 InChI Key: OLKIYJDSLMKNLC-UHFFFAOYSA-N Synonym: 3-cyano-4-fluorobenzeneboronic acid,3-cyano-4-fluorophenyl boronic acid,3-cyano-4-fluoro-phenyl boronic acid,3-cyano-4-fluorophneylboronic acid,boronic acid, 3-cyano-4-fluorophenyl,3-cyano-4-fluorobenzeneboronicacid,pubchem1802,acmc-1cq96,ksc494o9l,3-cyano-4-fluoro phenylboronic acid PubChem CID: 2757964 IUPAC Name: (3-cyano-4-fluorophenyl)boronic acid SMILES: B(C1=CC(=C(C=C1)F)C#N)(O)O
| PubChem CID | 2757964 |
|---|---|
| CAS | 214210-21-6 |
| Molecular Weight (g/mol) | 164.93 |
| MDL Number | MFCD03095130 |
| SMILES | B(C1=CC(=C(C=C1)F)C#N)(O)O |
| Synonym | 3-cyano-4-fluorobenzeneboronic acid,3-cyano-4-fluorophenyl boronic acid,3-cyano-4-fluoro-phenyl boronic acid,3-cyano-4-fluorophneylboronic acid,boronic acid, 3-cyano-4-fluorophenyl,3-cyano-4-fluorobenzeneboronicacid,pubchem1802,acmc-1cq96,ksc494o9l,3-cyano-4-fluoro phenylboronic acid |
| IUPAC Name | (3-cyano-4-fluorophenyl)boronic acid |
| InChI Key | OLKIYJDSLMKNLC-UHFFFAOYSA-N |
| Molecular Formula | C7H5BFNO2 |
Tri-m-cresyl Phosphate 95.0+%, TCI America™
CAS: 563-04-2 Molecular Formula: C21H21O4P Molecular Weight (g/mol): 368.37 MDL Number: MFCD00041907 InChI Key: RMLPZKRPSQVRAB-UHFFFAOYSA-N Synonym: tri-m-cresyl phosphate,tri-m-tolyl phosphate,phosphoric acid, tris 3-methylphenyl ester,tri-m-cresyl phosphite,tris-m-cresyl phosphate,tris m-tolyl phosphate,tris 3-methylphenyl phosphate,phosphoric acid tri-m-tolyl ester,unii-w09q34on6j,ccris 5948 PubChem CID: 11232 IUPAC Name: tris(3-methylphenyl) phosphate SMILES: CC1=CC(OP(=O)(OC2=CC(C)=CC=C2)OC2=CC=CC(C)=C2)=CC=C1
| PubChem CID | 11232 |
|---|---|
| CAS | 563-04-2 |
| Molecular Weight (g/mol) | 368.37 |
| MDL Number | MFCD00041907 |
| SMILES | CC1=CC(OP(=O)(OC2=CC(C)=CC=C2)OC2=CC=CC(C)=C2)=CC=C1 |
| Synonym | tri-m-cresyl phosphate,tri-m-tolyl phosphate,phosphoric acid, tris 3-methylphenyl ester,tri-m-cresyl phosphite,tris-m-cresyl phosphate,tris m-tolyl phosphate,tris 3-methylphenyl phosphate,phosphoric acid tri-m-tolyl ester,unii-w09q34on6j,ccris 5948 |
| IUPAC Name | tris(3-methylphenyl) phosphate |
| InChI Key | RMLPZKRPSQVRAB-UHFFFAOYSA-N |
| Molecular Formula | C21H21O4P |
Benzyl Cinnamate 98.0+%, TCI America™
CAS: 103-41-3 Molecular Formula: C16H14O2 Molecular Weight (g/mol): 238.29 MDL Number: MFCD00004789,MFCD00004789,MFCD00004789 InChI Key: NGHOLYJTSCBCGC-VAWYXSNFSA-N Synonym: benzyl alcohol cinnamic ester,benzylcinnamate,benzyl alcohol, cinnamate,wln: r1u1vo1r,benzyl .gamma.-phenylacrylate,benzyl cis-cinnamate,benzyl z-cinnamate,2-propenoic acid, 3-phenyl-, phenylmethyl ester,z-benzyl 3-phenylacrylate,cinnamic acid, benzyl ester, z PubChem CID: 15558051 IUPAC Name: benzyl (2E)-3-phenylprop-2-enoate SMILES: O=C(OCC1=CC=CC=C1)\C=C\C1=CC=CC=C1
| PubChem CID | 15558051 |
|---|---|
| CAS | 103-41-3 |
| Molecular Weight (g/mol) | 238.29 |
| MDL Number | MFCD00004789,MFCD00004789,MFCD00004789 |
| SMILES | O=C(OCC1=CC=CC=C1)\C=C\C1=CC=CC=C1 |
| Synonym | benzyl alcohol cinnamic ester,benzylcinnamate,benzyl alcohol, cinnamate,wln: r1u1vo1r,benzyl .gamma.-phenylacrylate,benzyl cis-cinnamate,benzyl z-cinnamate,2-propenoic acid, 3-phenyl-, phenylmethyl ester,z-benzyl 3-phenylacrylate,cinnamic acid, benzyl ester, z |
| IUPAC Name | benzyl (2E)-3-phenylprop-2-enoate |
| InChI Key | NGHOLYJTSCBCGC-VAWYXSNFSA-N |
| Molecular Formula | C16H14O2 |
4,4,5,5-Tetramethyl-2-(2-methyl-1-propenyl)-1,3,2-dioxaborolane 98.0+%, TCI America™
CAS: 126689-00-7 Molecular Formula: C10H19BO2 Molecular Weight (g/mol): 182.07 MDL Number: MFCD09842762 InChI Key: LWXHOCHDERDUID-UHFFFAOYSA-N Synonym: (2-Methyl-1-propenyl)boronic Acid Pinacol Ester PubChem CID: 15148447 IUPAC Name: 4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C=C(C)C
| PubChem CID | 15148447 |
|---|---|
| CAS | 126689-00-7 |
| Molecular Weight (g/mol) | 182.07 |
| MDL Number | MFCD09842762 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C=C(C)C |
| Synonym | (2-Methyl-1-propenyl)boronic Acid Pinacol Ester |
| IUPAC Name | 4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane |
| InChI Key | LWXHOCHDERDUID-UHFFFAOYSA-N |
| Molecular Formula | C10H19BO2 |
Butyl Decanoate 98.0+%, TCI America™
CAS: 30673-36-0 Molecular Formula: C14H28O2 Molecular Weight (g/mol): 228.376 MDL Number: MFCD00053823 InChI Key: ZRNCNTSXSYXHOW-UHFFFAOYSA-N Synonym: Decanoic Acid Butyl Ester PubChem CID: 35408 IUPAC Name: butyl decanoate SMILES: CCCCCCCCCC(=O)OCCCC
| PubChem CID | 35408 |
|---|---|
| CAS | 30673-36-0 |
| Molecular Weight (g/mol) | 228.376 |
| MDL Number | MFCD00053823 |
| SMILES | CCCCCCCCCC(=O)OCCCC |
| Synonym | Decanoic Acid Butyl Ester |
| IUPAC Name | butyl decanoate |
| InChI Key | ZRNCNTSXSYXHOW-UHFFFAOYSA-N |
| Molecular Formula | C14H28O2 |
6-Heptenyl Acetate 97.0+%, TCI America™
CAS: 5048-30-6 Molecular Formula: C9H16O2 Molecular Weight (g/mol): 156.23 MDL Number: MFCD00191656 InChI Key: GNEUVQRNOYJQLS-UHFFFAOYSA-N Synonym: 7-Acetoxy-1-heptene, Acetic Acid 6-Heptenyl Ester PubChem CID: 537537 IUPAC Name: hept-6-en-1-yl acetate SMILES: CC(=O)OCCCCCC=C
| PubChem CID | 537537 |
|---|---|
| CAS | 5048-30-6 |
| Molecular Weight (g/mol) | 156.23 |
| MDL Number | MFCD00191656 |
| SMILES | CC(=O)OCCCCCC=C |
| Synonym | 7-Acetoxy-1-heptene, Acetic Acid 6-Heptenyl Ester |
| IUPAC Name | hept-6-en-1-yl acetate |
| InChI Key | GNEUVQRNOYJQLS-UHFFFAOYSA-N |
| Molecular Formula | C9H16O2 |