Organic acids and derivatives
3-Indoxyl phosphate disodium salt
CAS: 3318-43-2 Molecular Formula: C8H6NNa2O4P Molecular Weight (g/mol): 257.092 MDL Number: MFCD00040646 InChI Key: WCSKWBKPKXJWEG-UHFFFAOYSA-L Synonym: 3-indoxyl phosphate disodium salt,disodium indol-3-yl phosphate,indol-3-yl sodium phosphate,disodium 1h-indol-3-yl phosphate,unii-p1w2d6403e,indoxylphosphate, disodium salt,sodium 1h-indol-3-yl phosphate,1h-indol-3-ol, dihydrogen phosphate ester , disodium salt,ip, na2,3-indoxyl phosphate PubChem CID: 76830 IUPAC Name: disodium;1H-indol-3-yl phosphate SMILES: C1=CC=C2C(=C1)C(=CN2)OP(=O)([O-])[O-].[Na+].[Na+]
1-Formyl-4-methylpiperazine, 98%
CAS: 7556-55-0 Molecular Formula: C6H12N2O Molecular Weight (g/mol): 128.18 MDL Number: MFCD00085930 InChI Key: JQTMGOLZSBTZMS-UHFFFAOYSA-N Synonym: 1-formyl-4-methylpiperazine,n-methyl-n'-formylpiperazine,4-methylpiperazin-1-yl methanone,4-methyl-1-piperazinyl-methanone,4-methyl-piperazin-1-yl-methanone,ods PubChem CID: 3269221 ChEBI: CHEBI:44477 IUPAC Name: 4-methylpiperazine-1-carbaldehyde SMILES: CN1CCN(CC1)C=O
Butyl butyrate, 98%
CAS: 109-21-7 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00009450 InChI Key: XUPYJHCZDLZNFP-UHFFFAOYSA-N Synonym: butyl butyrate,n-butyl butyrate,butanoic acid, butyl ester,n-butyl butanoate,1-butyl butyrate,butyl butylate,butyric acid butyl ester,n-butyl n-butyrate,butyric acid, butyl ester,butyl n-butyrate PubChem CID: 7983 ChEBI: CHEBI:87429 IUPAC Name: butyl butanoate SMILES: CCCCOC(=O)CCC
1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid, 97%, Thermo Scientific™
CAS: 98534-80-6 Molecular Formula: C11H6ClF3N2O2 Molecular Weight (g/mol): 290.626 MDL Number: MFCD00068142 InChI Key: HSZJMDBOSZVDOK-UHFFFAOYSA-N Synonym: 1-4-chlorophenyl-5-trifluoromethyl-1h-pyrazole-4-carboxylic acid,2-4-chlorophenyl-3-trifluoromethyl pyrazole-4-carboxylic acid,1-4-chlorophenyl-5-trifluoromethyl pyrazole-4-carboxylic acid,2-4-chlorophenyl-3-trifluoromethyl-2h-pyrazole-4-carboxylic acid,maybridge1_004008,2-4-chlorophenyl-3-trifluoromethyl pyrazole-4,1-4-chlorophenyl-5-trifluoromethyl-4-pyrazolecarboxylic acid,1h-pyrazole-4-carboxylic acid, 1-4-chlorophenyl-5-trifluoromethyl PubChem CID: 688687 IUPAC Name: 1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid SMILES: C1=CC(=CC=C1N2C(=C(C=N2)C(=O)O)C(F)(F)F)Cl
4-Cyano-3-fluorophenylboronic acid, 97%
CAS: 843663-18-3 Molecular Formula: C7H5BFNO2 Molecular Weight (g/mol): 164.93 MDL Number: MFCD03411549 InChI Key: DECWLXUOZUMPBF-UHFFFAOYSA-N Synonym: 4-cyano-3-fluorobenzeneboronic acid,4-cyano-3-fluorophenyl boronic acid,4-borono-2-fluorobenzonitrile,4-cyano-3-fluoro-phenyl boronic acid,4-cyano-3-fluoro phenyl boronic acid,3-fluoro-4-cyanophenylboronic acid,boronic acid, 4-cyano-3-fluorophenyl,4-cyano-3-fluorophenylboronicacid,pubchem1801,acmc-209pug PubChem CID: 2783130 IUPAC Name: (4-cyano-3-fluorophenyl)boronic acid SMILES: OB(O)C1=CC(F)=C(C=C1)C#N
Methyl benzenesulfonate, 98%
CAS: 80-18-2 Molecular Formula: C7H8O3S Molecular Weight (g/mol): 172.20 MDL Number: MFCD00014737 InChI Key: CZXGXYBOQYQXQD-UHFFFAOYSA-N Synonym: benzenesulfonic acid, methyl ester,methyl benzenesulphonate,methyl besylate,methylbenzenesulfonate,ccris 9156,benzenesulfonic acid methyl ester,methyl benzene sulfonate,methyl ester of benzenesulphonic acid,methylbenzene sulfonate,pubchem22730 PubChem CID: 6630 IUPAC Name: methyl benzenesulfonate SMILES: COS(=O)(=O)C1=CC=CC=C1
Tributyl Phosphate OR, Macron Fine Chemicals™
CAS: 126-73-8 Molecular Formula: C12H27O4P Molecular Weight (g/mol): 266.32 MDL Number: MFCD00009436 InChI Key: STCOOQWBFONSKY-UHFFFAOYSA-N Synonym: tri-n-butyl phosphate,tributylphosphate,butyl phosphate,phosphoric acid tributyl ester,tributylphosphat,celluphos 4,disflamoll tb,tributilfosfato,tributylfosfaat,tributyle phosphate de PubChem CID: 31357 ChEBI: CHEBI:35019 IUPAC Name: tributyl phosphate SMILES: CCCCOP(=O)(OCCCC)OCCCC
6-Quinoxalinecarboxylic acid, 95%, Thermo Scientific™
CAS: 6925-00-4 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.159 InChI Key: JGQDBVXRYDEWGM-UHFFFAOYSA-N Synonym: 6-quinoxalinecarboxylic acid,chinoxalin-6-carbonsaeure,quinoxaline-6-carboxylicacid,pubchem15419,quinoxaline-6-carboxylic acid PubChem CID: 674813 IUPAC Name: quinoxaline-6-carboxylic acid SMILES: C1=CC2=NC=CN=C2C=C1C(=O)O
Ethylene glycol-bis-(β-aminoethylether)-N,N,N',N'-tetraacetic acid, 99.6%, MP Biomedicals™
CAS: 67-42-5 Molecular Formula: C14H24N2O10 Molecular Weight (g/mol): 380.35 InChI Key: DEFVIWRASFVYLL-UHFFFAOYSA-N Synonym: egta,egtazic acid,gedta,ethylenebis oxyethylenenitrilo tetraacetic acid,ebonta,6,9-dioxa-3,12-diazatetradecanedioic acid, 3,12-bis carboxymethyl,1,2-bis 2-bis carboxymethyl amino ethoxy ethane,ethylene glycol tetraacetic acid,h4egta,egtazic acid usan:inn PubChem CID: 6207 ChEBI: CHEBI:30740 IUPAC Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid SMILES: C(COCCOCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
(4-Thien-2-yltetrahydropyran-4-yl)methyl toluene-4-sulfonate, 97%, Thermo Scientific™
CAS: 921938-87-6 Molecular Formula: C17H20O4S2 Molecular Weight (g/mol): 352.463 MDL Number: MFCD09879933 InChI Key: OZWQPINOYPXHPX-UHFFFAOYSA-N Synonym: 4-thien-2-yltetrahydropyran-4-yl methyl toluene-4-sulfonate,4-thiophen-2-yl oxan-4-yl methyl 4-methylbenzenesulfonate,4-thien-2-yltetrahydro-2h-pyran-4-yl methyl 4-methylphenylsulphonate,4-thiophen-2-yl oxan-4-yl methyl 4-methylbenzene-1-sulfonate,4-thiophen-2-yl tetrahydro-2h-pyran-4-yl methyl 4-methylbenzenesulfonate,4-thien-2-yltetrahydro-2h-pyran-4-yl methyl 4-methylphenylsulfonate,4-thiophen-2-yltetrahydropyran-4-yl methyl toluene-4-sulfonate PubChem CID: 24229670 IUPAC Name: (4-thiophen-2-yloxan-4-yl)methyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCOCC2)C3=CC=CS3
Desmosine, 99.5%, MP Biomedicals™
CAS: 11003-57-9 Molecular Formula: C24H40N5O8 Molecular Weight (g/mol): 526.61 InChI Key: VEVRNHHLCPGNDU-UHFFFAOYNA-O Synonym: desmosine,norleucine, 6-4-4-amino-4-carboxybutyl-3,5-bis 3-amino-3-carboxypropyl pyridinio,2-amino-6-3,5-bis 3-amino-4-hydroxy-4-oxobutyl-4-4-amino-5-hydroxy-5-oxopentyl pyridin-1-ium-1-yl hexanoic acid PubChem CID: 15942890 ChEBI: CHEBI:37628
4-Fluoro-3-(tetrazol-5-yl)phenylboronic acid, 95%, Thermo Scientific™
CAS: 1009303-56-3 Molecular Formula: C7H6BFN4O2 Molecular Weight (g/mol): 207.96 MDL Number: MFCD13176533 InChI Key: FELFJHZMQYCKPT-UHFFFAOYSA-N Synonym: 4-fluoro-3-tetrazol-5-yl phenylboronic acid,4-fluoro-3-1h-1,2,3,4-tetrazol-5-yl phenylboronic acid,4-fluoro-3-1h-tetrazol-5-yl phenyl boronic acid,4-fluoro-3-1h-tetrazol-5-yl phenylboronic acid PubChem CID: 11287236 IUPAC Name: [4-fluoro-3-(2H-tetrazol-5-yl)phenyl]boronic acid SMILES: OB(O)C1=CC(C2=NNN=N2)=C(F)C=C1
Ethyl (R)-(-)-4-cyano-3-hydroxybutyrate, 98%
CAS: 141942-85-0 Molecular Formula: C7H11NO3 Molecular Weight (g/mol): 157.17 MDL Number: MFCD00270839 InChI Key: LOQFROBMBSKWQY-ZCFIWIBFSA-N Synonym: ethyl r---4-cyano-3-hydroxybutyate,ethyl r---4-cyano-3-hydroxybutyrate,ethyl 3r-4-cyano-3-hydroxybutanoate,r-4-cyano-3-hydroxybutyric acid ethyl ester,r-ethyl 4-cyano-3-hydroxybutyrate,ethyl-r-+-4-cyano-3-hydroxybutanoate,ethyl r-4-cyano-3-hydroxybutyrate,r-ethyl 4-cyano-3-hydroxybutanoate,r-4-cyano-3-hydroxy-butyric acid ethyl ester,r---4-cyano-3-hydroxybutyric acid ethyl ester PubChem CID: 2733879 IUPAC Name: ethyl (3R)-4-cyano-3-hydroxybutanoate SMILES: CCOC(=O)C[C@H](O)CC#N
4-Isopropylpyrimidine-5-boronic acid, 95%
CAS: 913835-27-5 Molecular Formula: C7H11BN2O2 Molecular Weight (g/mol): 165.99 MDL Number: MFCD08235084 InChI Key: SMZXLPHORPDPKW-UHFFFAOYSA-N Synonym: 4-isopropylpyrimidine-5-boronic acid,4-isopropylpyrimidin-5-yl boronic acid,4-isopropylpyrimidin-5-ylboronic acid,4-isopropyl-5-pyrimidineboronic acid,4-propan-2-yl pyrimidin-5-yl boronic acid,acmc-209r8y,4-isopropylpyrimidin-5-yl boronicacid,boronicacid, b-4-1-methylethyl-5-pyrimidinyl,boronicacid,b-4-1-methylethyl-5-pyrimidinyl,b-4-1-methylethyl-5-pyrimidinyl-boronic acid PubChem CID: 44119845 IUPAC Name: (4-propan-2-ylpyrimidin-5-yl)boronic acid SMILES: CC(C)C1=NC=NC=C1B(O)O
(+)-Dibenzoyl-L-tartaric anhydride, 98%
CAS: 64339-95-3 Molecular Formula: C18H12O7 Molecular Weight (g/mol): 340.29 MDL Number: MFCD00067102 InChI Key: OXIKRMSPXYQFOT-ZCWZLOQUNA-N Synonym: 3r,4r-2,5-dioxotetrahydrofuran-3,4-diyl dibenzoate,+-dibenzoyl-l-tartaric anhydride,2,5-furandione, 3,4-bis benzoyloxy dihydro-, 3r,4r,2-o,3-o-dibenzoyl-l-tartaric anhydride,3r,4r-2,5-dioxo-3,4-dibenzoyloxy-3,4-dihydrofuran,3r,4r-4-benzoyloxy-2,5-dioxooxolan-3-yl benzoate PubChem CID: 2733743 IUPAC Name: [(3R,4R)-4-benzoyloxy-2,5-dioxooxolan-3-yl] benzoate SMILES: O=C(O[C@@H]1[C@@H](OC(=O)C2=CC=CC=C2)C(=O)OC1=O)C1=CC=CC=C1