Carboxylic acids and derivatives
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Ethylene glycol-bis(beta-aminoethyl ether)-N,N,N',N'-tetraacetic acid tetrasodium salt, 95%
CAS: 13368-13-3 Molecular Formula: C14H20N2Na4O10 Molecular Weight (g/mol): 468.28 MDL Number: MFCD00274420 InChI Key: BAOGCDPNNOBWQZ-UHFFFAOYSA-J Synonym: egta tetrasodium,3,12-bis carboxymethyl-6,9-dioxa-3,12-diazatetradecane-1,14-dioic acid, tetrasodium salt,ethylene glycol-bis beta-aminoethyl ether-n,n,n',n'-tetraacetic acid tetrasodium salt,egta tetrasodium salt,egtazic acid tetrasodium,ethylene-bis oxyethylenenitrilo tetraacetic acid tetrasodium,2,2',2,2'-ethylenebis oxyethylenenitrilo tetraacetic acid tetrasodium salt,6,9-dioxa-3,12-diazatetradecanedioicacid,3,12-bis carboxymethyl-,sodium salt 1:4,tetrasodium 3,12-bis carboxylatomethyl-6,9-dioxa-3,12-diazatetradecane-1,14-dioate,ethylene glycol-bis,a-aminoethyl ether-n,n,n inverted exclamation marka,n inverted exclamation marka-tetraacetic acid tetrasodium salt PubChem CID: 16219327 IUPAC Name: tetrasodium;2-[2-[2-[2-[bis(carboxylatomethyl)amino]ethoxy]ethoxy]ethyl-(carboxylatomethyl)amino]acetate SMILES: C(COCCOCCN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
| PubChem CID | 16219327 |
|---|---|
| CAS | 13368-13-3 |
| Molecular Weight (g/mol) | 468.28 |
| MDL Number | MFCD00274420 |
| SMILES | C(COCCOCCN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| Synonym | egta tetrasodium,3,12-bis carboxymethyl-6,9-dioxa-3,12-diazatetradecane-1,14-dioic acid, tetrasodium salt,ethylene glycol-bis beta-aminoethyl ether-n,n,n',n'-tetraacetic acid tetrasodium salt,egta tetrasodium salt,egtazic acid tetrasodium,ethylene-bis oxyethylenenitrilo tetraacetic acid tetrasodium,2,2',2,2'-ethylenebis oxyethylenenitrilo tetraacetic acid tetrasodium salt,6,9-dioxa-3,12-diazatetradecanedioicacid,3,12-bis carboxymethyl-,sodium salt 1:4,tetrasodium 3,12-bis carboxylatomethyl-6,9-dioxa-3,12-diazatetradecane-1,14-dioate,ethylene glycol-bis,a-aminoethyl ether-n,n,n inverted exclamation marka,n inverted exclamation marka-tetraacetic acid tetrasodium salt |
| IUPAC Name | tetrasodium;2-[2-[2-[2-[bis(carboxylatomethyl)amino]ethoxy]ethoxy]ethyl-(carboxylatomethyl)amino]acetate |
| InChI Key | BAOGCDPNNOBWQZ-UHFFFAOYSA-J |
| Molecular Formula | C14H20N2Na4O10 |
Ethyl phenylcyanoacetate, 97%
CAS: 4553-07-5 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.21 MDL Number: MFCD00001866 InChI Key: SXIRJEDGTAKGKU-UHFFFAOYNA-N SMILES: CCOC(=O)C(C#N)C1=CC=CC=C1
| CAS | 4553-07-5 |
|---|---|
| Molecular Weight (g/mol) | 189.21 |
| MDL Number | MFCD00001866 |
| SMILES | CCOC(=O)C(C#N)C1=CC=CC=C1 |
| InChI Key | SXIRJEDGTAKGKU-UHFFFAOYNA-N |
| Molecular Formula | C11H11NO2 |
Methyl DL-2-bromopropionate, 99%
CAS: 5445-17-0 Molecular Formula: C4H7BrO2 Molecular Weight (g/mol): 167 MDL Number: MFCD00000143 InChI Key: ACEONLNNWKIPTM-UHFFFAOYSA-N PubChem CID: 95576 IUPAC Name: methyl 2-bromopropanoate SMILES: CC(C(=O)OC)Br
| PubChem CID | 95576 |
|---|---|
| CAS | 5445-17-0 |
| Molecular Weight (g/mol) | 167 |
| MDL Number | MFCD00000143 |
| SMILES | CC(C(=O)OC)Br |
| IUPAC Name | methyl 2-bromopropanoate |
| InChI Key | ACEONLNNWKIPTM-UHFFFAOYSA-N |
| Molecular Formula | C4H7BrO2 |
Methyl 3-bromopropionate, 97%
CAS: 3395-91-3 Molecular Formula: C4H7BrO2 Molecular Weight (g/mol): 167.00 MDL Number: MFCD00000250 InChI Key: KQEVIFKPZOGBMZ-UHFFFAOYSA-N Synonym: methyl 3-bromopropionate,propanoic acid, 3-bromo-, methyl ester,methyl beta-bromopropionate,3-bromopropionic acid methyl ester,propionic acid, 3-bromo-, methyl ester,3-bromopropanoic acid methyl ester,unii-y803ch1p4w,beta-bromopropionic acid, methyl ester,methyl .beta.-bromopropionate,3-bromo-propionic acid methyl ester PubChem CID: 76934 IUPAC Name: methyl 3-bromopropanoate SMILES: COC(=O)CCBr
| PubChem CID | 76934 |
|---|---|
| CAS | 3395-91-3 |
| Molecular Weight (g/mol) | 167.00 |
| MDL Number | MFCD00000250 |
| SMILES | COC(=O)CCBr |
| Synonym | methyl 3-bromopropionate,propanoic acid, 3-bromo-, methyl ester,methyl beta-bromopropionate,3-bromopropionic acid methyl ester,propionic acid, 3-bromo-, methyl ester,3-bromopropanoic acid methyl ester,unii-y803ch1p4w,beta-bromopropionic acid, methyl ester,methyl .beta.-bromopropionate,3-bromo-propionic acid methyl ester |
| IUPAC Name | methyl 3-bromopropanoate |
| InChI Key | KQEVIFKPZOGBMZ-UHFFFAOYSA-N |
| Molecular Formula | C4H7BrO2 |
1H-Benzimidazole-5-carboxylic acid, 98%
CAS: 15788-16-6 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD00011555 InChI Key: COYPLDIXZODDDL-UHFFFAOYSA-N Synonym: 1h-benzimidazole-5-carboxylic acid,5-benzimidazolecarboxylic acid,benzimidazole-5-carboxylic acid,1h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-6-carboxylic acid,5-carboxybenzimidazole,1h-1,3-benzodiazole-5-carboxylic acid,3h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-5-carboxylicacid,1h-1,3-benzodiazole-6-carboxylic acid PubChem CID: 459456 IUPAC Name: 3H-benzimidazole-5-carboxylic acid SMILES: OC(=O)C1=CC=C2N=CNC2=C1
| PubChem CID | 459456 |
|---|---|
| CAS | 15788-16-6 |
| Molecular Weight (g/mol) | 162.15 |
| MDL Number | MFCD00011555 |
| SMILES | OC(=O)C1=CC=C2N=CNC2=C1 |
| Synonym | 1h-benzimidazole-5-carboxylic acid,5-benzimidazolecarboxylic acid,benzimidazole-5-carboxylic acid,1h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-6-carboxylic acid,5-carboxybenzimidazole,1h-1,3-benzodiazole-5-carboxylic acid,3h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-5-carboxylicacid,1h-1,3-benzodiazole-6-carboxylic acid |
| IUPAC Name | 3H-benzimidazole-5-carboxylic acid |
| InChI Key | COYPLDIXZODDDL-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O2 |
| PubChem CID | 113227 |
|---|---|
| CAS | 867-56-1 |
| Molecular Weight (g/mol) | 112.06 |
| MDL Number | MFCD00066576 |
| SMILES | CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)O.Cl |
| Synonym | methyl red hydrochloride,unii-rfa0w63690,4-dimethylaminoazobenzene-2'-carboxylic acid hydrochloride,eaetho masculinei 2,methyl red, acs,2-4-dimethylamino phenyl azo benzoic acid monohydrochloride,c15h15n3o2.hcl,2-e-4-dimethylamino phenyl diazenyl benzoic acid hydrochloride 1:1,methyl red hydrochloride, acs reagent,2-4-dimethylaminophenyl diazenyl benzoic acid hydrochloride |
| IUPAC Name | 2-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid;hydrochloride |
| InChI Key | ICTWKXAVJAHRMK-UHFFFAOYSA-N |
| Molecular Formula | C3H5NaO3 |
(+)-Diacetyl-L-tartaric anhydride, 97%
CAS: 6283-74-5 Molecular Formula: C8H8O7 Molecular Weight (g/mol): 216.15 MDL Number: MFCD00037918 InChI Key: XAKITKDHDMPGPW-IOMOGOHMNA-N Synonym: 3r,4r-2,5-dioxotetrahydrofuran-3,4-diyl diacetate,unii-d7xnf76o0k,+-diacetyl-l-tartaric anhydride,d7xnf76o0k,2,5-furandione, 3,4-bis acetyloxy dihydro-, 3r,4r,3r,4r-4-acetyloxy-2,5-dioxooxolan-3-yl acetate,di-o-acetyl-l-tartaric anhydride,o,o-diacetyl tartaric acid anhydride,acetic acid 4-acetoxy-2,5-dioxo-tetrahydro-furan-3-yl ester,3r-trans-dihydro-2,5-dioxofuran-3,4-diyl diacetate PubChem CID: 513914 SMILES: CC(=O)O[C@@H]1[C@@H](OC(C)=O)C(=O)OC1=O
| PubChem CID | 513914 |
|---|---|
| CAS | 6283-74-5 |
| Molecular Weight (g/mol) | 216.15 |
| MDL Number | MFCD00037918 |
| SMILES | CC(=O)O[C@@H]1[C@@H](OC(C)=O)C(=O)OC1=O |
| Synonym | 3r,4r-2,5-dioxotetrahydrofuran-3,4-diyl diacetate,unii-d7xnf76o0k,+-diacetyl-l-tartaric anhydride,d7xnf76o0k,2,5-furandione, 3,4-bis acetyloxy dihydro-, 3r,4r,3r,4r-4-acetyloxy-2,5-dioxooxolan-3-yl acetate,di-o-acetyl-l-tartaric anhydride,o,o-diacetyl tartaric acid anhydride,acetic acid 4-acetoxy-2,5-dioxo-tetrahydro-furan-3-yl ester,3r-trans-dihydro-2,5-dioxofuran-3,4-diyl diacetate |
| InChI Key | XAKITKDHDMPGPW-IOMOGOHMNA-N |
| Molecular Formula | C8H8O7 |
Mono-methyl phthalate, 98%
CAS: 4376-18-5 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00002466 InChI Key: FNJSWIPFHMKRAT-UHFFFAOYSA-N Synonym: 2-methoxycarbonyl benzoic acid,methyl hydrogen phthalate,monomethyl phthalate,mono-methyl phthalate,phthalic acid monomethyl ester,o-methoxycarbonyl benzoic acid,monomethyl 1,2-benzenedicarboxylate,phthalic acid, monomethyl ester,monomethylphthalate,unii-2stt6d18jr PubChem CID: 20392 IUPAC Name: 2-methoxycarbonylbenzoic acid SMILES: COC(=O)C1=CC=CC=C1C(O)=O
| PubChem CID | 20392 |
|---|---|
| CAS | 4376-18-5 |
| Molecular Weight (g/mol) | 180.16 |
| MDL Number | MFCD00002466 |
| SMILES | COC(=O)C1=CC=CC=C1C(O)=O |
| Synonym | 2-methoxycarbonyl benzoic acid,methyl hydrogen phthalate,monomethyl phthalate,mono-methyl phthalate,phthalic acid monomethyl ester,o-methoxycarbonyl benzoic acid,monomethyl 1,2-benzenedicarboxylate,phthalic acid, monomethyl ester,monomethylphthalate,unii-2stt6d18jr |
| IUPAC Name | 2-methoxycarbonylbenzoic acid |
| InChI Key | FNJSWIPFHMKRAT-UHFFFAOYSA-N |
| Molecular Formula | C9H8O4 |
Ethyl cyanoformate, 99%
CAS: 623-49-4 Molecular Formula: C4H5NO2 Molecular Weight (g/mol): 99.09 MDL Number: MFCD00001836 InChI Key: MSMGXWFHBSCQFB-UHFFFAOYSA-N Synonym: carbonocyanidic acid, ethyl ester,ethyl carbonocyanidate,2-ethoxy-2-oxoacetonitrile,cyanoformic acid ethyl ester,ethyl carbonocyanidoate,formic acid, cyano-, ethyl ester,cyanocarbonyloxyethane,ethylcyanidocarbonat,ethyl cyanoformate,ethyl cyanocarbonate PubChem CID: 69336 IUPAC Name: ethyl cyanoformate SMILES: CCOC(=O)C#N
| PubChem CID | 69336 |
|---|---|
| CAS | 623-49-4 |
| Molecular Weight (g/mol) | 99.09 |
| MDL Number | MFCD00001836 |
| SMILES | CCOC(=O)C#N |
| Synonym | carbonocyanidic acid, ethyl ester,ethyl carbonocyanidate,2-ethoxy-2-oxoacetonitrile,cyanoformic acid ethyl ester,ethyl carbonocyanidoate,formic acid, cyano-, ethyl ester,cyanocarbonyloxyethane,ethylcyanidocarbonat,ethyl cyanoformate,ethyl cyanocarbonate |
| IUPAC Name | ethyl cyanoformate |
| InChI Key | MSMGXWFHBSCQFB-UHFFFAOYSA-N |
| Molecular Formula | C4H5NO2 |
L(+)-Tartaric acid diammonium salt, 99%
CAS: 3164-29-2 Molecular Formula: C4H12N2O6 Molecular Weight (g/mol): 184.15 MDL Number: MFCD00013073 InChI Key: NGPGDYLVALNKEG-OLXYHTOASA-N Synonym: ammonium d-tartrate,diammonium l-+-tartrate,l-tartaric acid, ammonium salt,unii-ji8ud88354,diammonium l-tartrate,r-2,3-dihydroxybutanedioic acid diammonium salt,ammonium tartrate dibasic,butanedioic acid, 2,3-dihydroxy-2r,3r-, diammonium salt,ammonium l-+-tartrate,diammonium 2r,3r-2,3-dihydroxysuccinate PubChem CID: 13652278 ChEBI: CHEBI:63075 SMILES: N.N.O[C@H]([C@@H](O)C(O)=O)C(O)=O
| PubChem CID | 13652278 |
|---|---|
| CAS | 3164-29-2 |
| Molecular Weight (g/mol) | 184.15 |
| ChEBI | CHEBI:63075 |
| MDL Number | MFCD00013073 |
| SMILES | N.N.O[C@H]([C@@H](O)C(O)=O)C(O)=O |
| Synonym | ammonium d-tartrate,diammonium l-+-tartrate,l-tartaric acid, ammonium salt,unii-ji8ud88354,diammonium l-tartrate,r-2,3-dihydroxybutanedioic acid diammonium salt,ammonium tartrate dibasic,butanedioic acid, 2,3-dihydroxy-2r,3r-, diammonium salt,ammonium l-+-tartrate,diammonium 2r,3r-2,3-dihydroxysuccinate |
| InChI Key | NGPGDYLVALNKEG-OLXYHTOASA-N |
| Molecular Formula | C4H12N2O6 |
Ethyl isobutyrate, 99%
CAS: 97-62-1 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.18 MDL Number: MFCD00009165 InChI Key: WDAXFOBOLVPGLV-UHFFFAOYSA-N Synonym: ethyl isobutyrate,ethyl isobutanoate,ethylisobutyrate,isobutyric acid ethyl ester,ethyl 2,2-dimethylacetate,propanoic acid, 2-methyl-, ethyl ester,isobutyric acid, ethyl ester,ethyl 2-methylpropionate,propionic acid, 2-methyl-, ethyl ester,ethyl isobutyrate natural PubChem CID: 7342 ChEBI: CHEBI:87303 IUPAC Name: ethyl 2-methylpropanoate SMILES: CCOC(=O)C(C)C
| PubChem CID | 7342 |
|---|---|
| CAS | 97-62-1 |
| Molecular Weight (g/mol) | 116.18 |
| ChEBI | CHEBI:87303 |
| MDL Number | MFCD00009165 |
| SMILES | CCOC(=O)C(C)C |
| Synonym | ethyl isobutyrate,ethyl isobutanoate,ethylisobutyrate,isobutyric acid ethyl ester,ethyl 2,2-dimethylacetate,propanoic acid, 2-methyl-, ethyl ester,isobutyric acid, ethyl ester,ethyl 2-methylpropionate,propionic acid, 2-methyl-, ethyl ester,ethyl isobutyrate natural |
| IUPAC Name | ethyl 2-methylpropanoate |
| InChI Key | WDAXFOBOLVPGLV-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
Methyl 2,3-dichloropropionate, 98%
CAS: 3674-09-7 Molecular Formula: C4H6Cl2O2 Molecular Weight (g/mol): 156.99 MDL Number: MFCD00000944 InChI Key: OFHMODDLBXETIK-UHFFFAOYNA-N IUPAC Name: methyl 2,3-dichloropropanoate
| CAS | 3674-09-7 |
|---|---|
| Molecular Weight (g/mol) | 156.99 |
| MDL Number | MFCD00000944 |
| IUPAC Name | methyl 2,3-dichloropropanoate |
| InChI Key | OFHMODDLBXETIK-UHFFFAOYNA-N |
| Molecular Formula | C4H6Cl2O2 |
| Optical Rotation | [α]/D -28°C ± 2°C = 0.1 in. H218O |
|---|---|
| Percent Purity | ≥92% (HPLC) |
| Linear Formula | C10D3H14NO6 · xLi+ |
| CAS | 1803252-71-2 (Free Acid) |
| Flash Point | Not applicable |
| Grade | Analytical Standard |
| Recommended Storage | -20°C |
| Shelf Life | Limited shelf life, expiry date on the label |
| Molecular Formula | C10D3H14NO6 · xLi+ |
| Formula Weight | 250.26 (Free Acid Basis) |
N-(4-Bromobutyl)phthalimide, 96%
CAS: 5394-18-3 Molecular Formula: C12H12BrNO2 Molecular Weight (g/mol): 282.14 MDL Number: MFCD00005905 InChI Key: UXFWTIGUWHJKDD-UHFFFAOYSA-N Synonym: n-4-bromobutyl phthalimide,2-4-bromobutyl isoindoline-1,3-dione,1h-isoindole-1,3 2h-dione, 2-4-bromobutyl,2-4-bromobutyl-1h-isoindole-1,3 2h-dione,n-4-bromobutyl-phthalimide,2-4-bromobutyl isoindole-1,3-dione,2-4-bromobutyl-2,3-dihydro-1h-isoindole-1,3-dione,n-4-bromobutyl,n-bromobutylphthalimide PubChem CID: 93575 IUPAC Name: 2-(4-bromobutyl)isoindole-1,3-dione SMILES: BrCCCCN1C(=O)C2=CC=CC=C2C1=O
| PubChem CID | 93575 |
|---|---|
| CAS | 5394-18-3 |
| Molecular Weight (g/mol) | 282.14 |
| MDL Number | MFCD00005905 |
| SMILES | BrCCCCN1C(=O)C2=CC=CC=C2C1=O |
| Synonym | n-4-bromobutyl phthalimide,2-4-bromobutyl isoindoline-1,3-dione,1h-isoindole-1,3 2h-dione, 2-4-bromobutyl,2-4-bromobutyl-1h-isoindole-1,3 2h-dione,n-4-bromobutyl-phthalimide,2-4-bromobutyl isoindole-1,3-dione,2-4-bromobutyl-2,3-dihydro-1h-isoindole-1,3-dione,n-4-bromobutyl,n-bromobutylphthalimide |
| IUPAC Name | 2-(4-bromobutyl)isoindole-1,3-dione |
| InChI Key | UXFWTIGUWHJKDD-UHFFFAOYSA-N |
| Molecular Formula | C12H12BrNO2 |
2-Bromoacetamide, 98%
CAS: 683-57-8 Molecular Formula: C2H4BrNO Molecular Weight (g/mol): 137.964 MDL Number: MFCD00008025 InChI Key: JUIKUQOUMZUFQT-UHFFFAOYSA-N Synonym: bromoacetamide,acetamide, 2-bromo,2-bromo-acetamide,alpha-bromoacetamide,bromacetamide,bromoacetoamide,bromo acetamide,2-bromoacetoamide,2-bromo acetamide,sjyhcabiktp@ PubChem CID: 69632 IUPAC Name: 2-bromoacetamide SMILES: C(C(=O)N)Br
| PubChem CID | 69632 |
|---|---|
| CAS | 683-57-8 |
| Molecular Weight (g/mol) | 137.964 |
| MDL Number | MFCD00008025 |
| SMILES | C(C(=O)N)Br |
| Synonym | bromoacetamide,acetamide, 2-bromo,2-bromo-acetamide,alpha-bromoacetamide,bromacetamide,bromoacetoamide,bromo acetamide,2-bromoacetoamide,2-bromo acetamide,sjyhcabiktp@ |
| IUPAC Name | 2-bromoacetamide |
| InChI Key | JUIKUQOUMZUFQT-UHFFFAOYSA-N |
| Molecular Formula | C2H4BrNO |