Organoheterocyclic compounds
2-Cyano-6-fluoropyridine, 95%
CAS: 3939-15-9 Molecular Formula: C6H3FN2 Molecular Weight (g/mol): 122.10 MDL Number: MFCD09263323 InChI Key: NVOLTPVZQXTZCW-UHFFFAOYSA-N Synonym: 2-cyano-6-fluoropyridine,6-fluoropicolinonitrile,2-pyridinecarbonitrile, 6-fluoro,6-fluoro-2-cyanopyridine;2-fluoro-6-cyanopyridine;6-fluoropicolinonitrile,pubchem4017,acmc-1cj0q,2-pyridinecarbonitrile,6-fluoro,6-fluoro-pyridine-2-carbonitrile,2-fluoropyridine-6-carbonitrile,6-fluoro-2-pyridinecarbonitrile PubChem CID: 14296369 IUPAC Name: 6-fluoropyridine-2-carbonitrile SMILES: FC1=CC=CC(=N1)C#N
5-Formylthiophene-2-boronic acid, 97%
CAS: 4347-33-5 Molecular Formula: C5H5BO3S Molecular Weight (g/mol): 155.96 MDL Number: MFCD02093666 InChI Key: DEQOVKFWRPOPQP-UHFFFAOYSA-N Synonym: 5-formyl-2-thiopheneboronic acid,5-formylthiophen-2-boronic acid,5-formylthiophen-2-yl boronic acid,5-formylthiophene-2-boronic acid,2-formylthiophene-5-boronic acid,5-formylthienyl-2-boronic acid,5-formyl-2-thienyl boronic acid,boronic acid, 5-formyl-2-thienyl,5-formyl-2-thiopheneboronicacid,pubchem1722 PubChem CID: 2773430 IUPAC Name: (5-formylthiophen-2-yl)boronic acid SMILES: OB(O)C1=CC=C(S1)C=O
Cyclopiazonic acid, 98%
CAS: 18172-33-3 Molecular Formula: C20H20N2O3 Molecular Weight (g/mol): 336.391 MDL Number: MFCD00167445 InChI Key: SZINUGQCTHLQAZ-AFAVFJNCSA-N Synonym: cyclopiazonic acid,alpha-cyclopiazonic acid,unii-x9tly4580z,ccris 4942,alpha-cyclopiazonate,cyclopyazonic acid,6ar,10z,11as,11br-10-1-hydroxyethylidene-7,7-dimethyl-6a,7,11a,11b-tetrahydro-6h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indole-9,11 2h,10h-dione,9h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indol-9-one, 2,6,6a,7,11a,11b-hexahydro-10-acetyl-7,7-dimethyl-11-hydroxy-, 6a-alpha,11a,11b-alpha,6ar,11as,11br-10-acetyl-9-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-11h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indol-11-one,ambotzls-1020 PubChem CID: 54711281 SMILES: CC(=O)C1=C(C2C3C(CC4=C5C3=CNC5=CC=C4)C(N2C1=O)(C)C)O
Nitrofurantoin, 98%
CAS: 67-20-9 Molecular Formula: C8H6N4O5 Molecular Weight (g/mol): 238.16 MDL Number: MFCD00003224 InChI Key: NXFQHRVNIOXGAQ-YCRREMRBSA-N Synonym: nitrofurantoin,macrodantin,5-nitrofurantoin,furadantin,furadonine,nitrofurantoine,furadantine,furadantoin,furadoine,furadontin PubChem CID: 6604200 ChEBI: CHEBI:71415 IUPAC Name: 1-[(E)-[(5-nitrofuran-2-yl)methylidene]amino]imidazolidine-2,4-dione SMILES: [O-][N+](=O)C1=CC=C(O1)\C=N\N1CC(=O)NC1=O
4-(4-Bromophenyl)imidazole, 97%
CAS: 13569-96-5 Molecular Formula: C9H7BrN2 Molecular Weight (g/mol): 223.073 MDL Number: MFCD03312935 InChI Key: YLIOAWKNPLJMID-UHFFFAOYSA-N Synonym: 4-4-bromophenyl-1h-imidazole,1h-imidazole, 5-4-bromophenyl,5-4-bromophenyl-1h-imidazole,4-4-bromophenyl-3h-imidazole,cyp144a1 ligand, 4,4-4-bromophenyl imidazole,5-4-bromophenyl-3h-imidazole,1h-imidazole,5-4-bromophenyl,4-4-bromo-phenyl-1h-imidazole PubChem CID: 818595 IUPAC Name: 5-(4-bromophenyl)-1H-imidazole SMILES: C1=CC(=CC=C1C2=CN=CN2)Br
3-Aminobenzeneboronic acid pinacol ester, 97%
CAS: 210907-84-9 Molecular Formula: C12H18BNO2 Molecular Weight (g/mol): 219.09 MDL Number: MFCD03453668 InChI Key: YMXIIVIQLHYKOT-UHFFFAOYSA-N Synonym: 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,3-aminophenylboronic acid pinacol ester,benzenamine, 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,3-aminophenylboronic acid, pinacol ester,3-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,3-aminobenzeneboronic acid pinacol ester,3-aminophenylboronic acid, pinacol cyclic ester,3-aminophenylboronicacidpinacolester,apbe,amtb060 PubChem CID: 2734655 IUPAC Name: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline SMILES: CC1(C)OB(OC1(C)C)C1=CC=CC(N)=C1
1-Cyano-4-(dimethylamino)pyridinium tetrafluoroborate, 98%
CAS: 59016-56-7 Molecular Formula: C8H10BF4N3 Molecular Weight (g/mol): 234.99 MDL Number: MFCD00011998 InChI Key: MBLVMDCQDCVKNE-UHFFFAOYSA-N Synonym: cdap,1-cyano-4-dimethylamino pyridinium tetrafluoroborate,1-cyano-4-dimethylamino pyridin-1-ium tetrafluoroborate,unii-p4w72066jt,1-cyano-4-dimethylamino-pyridinium tetrafluoroborate,pubchem17735,acmc-209m9a,n-cyano-4-dimethylaminopyridinium tetrafluoroborate,1-cyano-4-dimethylaminopyridinium tetra-fluoroborate,n-cyano-4-dimethylamino-pyridinium tetrafluoroborate PubChem CID: 9881151 IUPAC Name: 4-(dimethylamino)pyridin-1-ium-1-carbonitrile;tetrafluoroborate SMILES: F[B-](F)(F)F.CN(C)C1=CC=[N+](C=C1)C#N
4-Benzyl-4-hydroxypiperidine, 97%
CAS: 51135-96-7 Molecular Formula: C12H17NO Molecular Weight (g/mol): 191.274 MDL Number: MFCD00023147 InChI Key: KJZBZOFESQSBCV-UHFFFAOYSA-N Synonym: 4-benzyl-4-hydroxypiperidine,4-piperidinol, 4-benzyl,4-benzyl-4-piperidinol,4-piperidinol, 4-phenylmethyl,acmc-20amoy,pubchem16262,4benzyl-piperidin-4-ol,maybridge3_002978,4-benzyl-piperidin-4-ol,4-benzyl-4-piperidinol # PubChem CID: 98152 IUPAC Name: 4-benzylpiperidin-4-ol SMILES: C1CNCCC1(CC2=CC=CC=C2)O
5-Bromo-2-chloropyridine, 98%
CAS: 53939-30-3 Molecular Formula: C5H3BrClN Molecular Weight (g/mol): 192.44 MDL Number: MFCD01318951 InChI Key: PEAOEIWYQVXZMB-UHFFFAOYSA-N Synonym: 2-chloro-5-bromopyridine,5-bromo-2-chloro-pyridine,pyridine, 5-bromo-2-chloro,2-chloro-5-bromo-pyridine,2-chlorine-5-bromine pyridine,pubchem1168,acmc-1afhf,3-bromo-6-chloropyridine,2-chloro-5-bromo pyridine,3-bromo-6-chloro-pyridine PubChem CID: 2734414 IUPAC Name: 5-bromo-2-chloropyridine SMILES: C1=CC(=NC=C1Br)Cl
2-Phenylquinoline, 99+%
CAS: 612-96-4 Molecular Formula: C15H11N Molecular Weight (g/mol): 205.26 MDL Number: MFCD00011568 InChI Key: FSEXLNMNADBYJU-UHFFFAOYSA-N Synonym: quinoline, 2-phenyl,2-phenyl quinoline,.alpha.-phenylquinoline,2-phenyl-quinoline,quinoline, phenyl,chembl89786,a-phenylquinoline,quinoline,phenyl,phenylquinoline,pubchem15940 PubChem CID: 71545 IUPAC Name: 2-phenylquinoline SMILES: C1=CC=C(C=C1)C1=CC=C2C=CC=CC2=N1
n-Dodecylpyridinium chloride hydrate, 98%
CAS: 207234-02-4 Molecular Formula: C17H30ClN Molecular Weight (g/mol): 283.88 MDL Number: MFCD00011987 InChI Key: GKQHIYSTBXDYNQ-UHFFFAOYSA-M Synonym: 1-dodecylpyridin-1-ium chloride hydrate,laurylpyridinum chloride,1-dodecylpyridinium chloride hydrate,1-dodecylpyridin-1-ium hydrate chloride,c17h30n.cl.h2o,n-dodecylpyridinium chloride hydrate,dodecylpyridinium chloride monohydrate,n-dodecylpyridinium chloride monohydrate,1-dodecylpyridin-1-ium chloride-water 1/1/1 PubChem CID: 16211802 IUPAC Name: 1-dodecylpyridin-1-ium;chloride;hydrate SMILES: [Cl-].CCCCCCCCCCCC[N+]1=CC=CC=C1
(R)-(+)-1,2-Epoxybutane, 98%
CAS: 3760-95-0 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.107 MDL Number: MFCD02683444 InChI Key: RBACIKXCRWGCBB-SCSAIBSYSA-N Synonym: r-+-1,2-epoxybutane,r-2-ethyloxirane,2r-2-ethyloxirane,r-1,2-epoxybutane,oxirane, ethyl-, 2r,r-epoxybutane,pubchem14098,r-+-ethyloxirane,r-+-butylene oxide PubChem CID: 11147670 IUPAC Name: (2R)-2-ethyloxirane SMILES: CCC1CO1
2-(2-Bromoethyl)-1,3-dioxane, 98%
CAS: 33884-43-4 Molecular Formula: C6H11BrO2 Molecular Weight (g/mol): 195.06 MDL Number: MFCD00006567 InChI Key: KXMZOKKPQZRPRN-UHFFFAOYNA-N Synonym: 2-2-bromoethyl-1,3-dioxane,1,3-dioxane, 2-2-bromoethyl,3-bromopropionaldehyde trimethylene acetal,2 2-bromoethyl-1,3-dioxane,2-2-bromoethyl-1,3 dioxane,bromoethyl-1,3-dioxane,acmc-209i3o,2-2-bromoetyl 1,3-dioxane,wmdhqehpovoeog-uhfffaoysa,2-2-bromoethyl 1,3-dioxane PubChem CID: 520656 SMILES: CC(Br)C1OCCCO1
Thermo Scientific Chemicals Myclobutanil
CAS: 88671-89-0 Molecular Formula: C15H17ClN4 Molecular Weight (g/mol): 288.78 InChI Key: HZJKXKUJVSEEFU-UHFFFAOYNA-N IUPAC Name: 2-(4-chlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]hexanenitrile SMILES: CCCCC(CN1C=NC=N1)(C#N)C1=CC=C(Cl)C=C1
3,4-Dihydro-2H-1,4-benzoxazine-6-boronic acid pinacol ester, Thermo Scientific Chemicals
CAS: 1155264-46-2 Molecular Formula: C14H20BNO3 Molecular Weight (g/mol): 261.13 MDL Number: MFCD18073255 InChI Key: HFUHUNYUUCDCAU-UHFFFAOYSA-N Synonym: 6-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-3,4-dihydro-2h-benzo b 1,4 oxazine,2h-1,4-benzoxazine, 3,4-dihydro-6-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,6-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-3,4-dihydro-2h-1,4-benzoxazine,acmc-2099qf,3,4-dihydro-2h-benzo b 1,4 oxazin-6-yl boronic acid pinacol ester,3,4-dihydro-6-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-2h-1,4-benzoxazine,6-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-3,4-dihydro-2h-benzo 1,4 oxazine,6-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-3,4-dihydro-2h-benzo b 1,4 oxazine,6-tetramethyl-1,3,2-dioxaborolan-2-yl-3,4-dihydro-2h-1,4-benzoxazine PubChem CID: 54759084 IUPAC Name: 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine SMILES: CC1(C)OB(OC1(C)C)C1=CC2=C(OCCN2)C=C1