Organooxygen compounds
4-Methoxy-4-methyl-2-pentanone, 97%
CAS: 107-70-0 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00043932 InChI Key: KOKPBCHLPVDQTK-UHFFFAOYSA-N Synonym: 4-methoxy-4-methyl-2-pentanone,pentoxone,pent-oxone solvent,2-pentanone, 4-methoxy-4-methyl,4-methyl-4-methoxy-2-pentanone,me 6 k,ccris 4840,acmc-1bwvk,dsstox_cid_5557,dsstox_rid_77828 PubChem CID: 7884 IUPAC Name: 4-methoxy-4-methylpentan-2-one SMILES: CC(=O)CC(C)(C)OC
2-Butynal diethyl acetal, 98%
CAS: 2806-97-5 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00009274 InChI Key: FKKVKKSEVMQYER-UHFFFAOYSA-N Synonym: 2-butynal diethyl acetal,2-butyn-1-al diethyl acetal,2-butynyl aldehyde diethyl acetal,2-butyne, 1,1-diethoxy,1,1-diethoxy-but-2-yne,1-diethoxybut-2-yne,acmc-20ao12,tetrolaldehyde diethyl acetal,1,1-diethoxy-2-butyne # PubChem CID: 137721 IUPAC Name: 1,1-diethoxybut-2-yne SMILES: CCOC(OCC)C#CC
2-Butoxyethanol, BAKER™, J.T. Baker™
CAS: 111-76-2 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.18 MDL Number: MFCD00002884 InChI Key: POAOYUHQDCAZBD-UHFFFAOYSA-N Synonym: butoxyethanol,butyl glycol,butyl cellosolve,ethylene glycol monobutyl ether,n-butoxyethanol,ethanol, 2-butoxy,ethylene glycol butyl ether,butyl oxitol,glycol butyl ether,glycol ether eb PubChem CID: 8133 ChEBI: CHEBI:63921 SMILES: CCCCOCCO
Boron trifluoride dibutyl etherate, 30-35%, (BF3), AcroSeal™
CAS: 593-04-4 Molecular Formula: C8H18BF3O Molecular Weight (g/mol): 198.04 MDL Number: MFCD00013195 InChI Key: PVKVBDZRILNPJY-UHFFFAOYSA-N Synonym: 1-butoxybutane; trifluoroborane,boron trifluoride dibutyl etherate,boron trifluoride-butyl ether complex,boron, trifluoro 1,1'-oxybis butane-, t-4,boron trifluoride; di-n-butyl ether,1-butoxybutane-trifluoroborane 1:1,1-butoxybutane; tris fluoranyl borane,trifluoro 1,1'-oxybis butane boron PubChem CID: 68970 IUPAC Name: 1-butoxybutane;trifluoroborane SMILES: FB(F)F.CCCCOCCCC
6-Ethoxy-2-mercaptobenzothiazole, 99%
CAS: 120-53-6 Molecular Formula: C9H9NOS2 Molecular Weight (g/mol): 211.297 MDL Number: MFCD00005782 InChI Key: HOASVNMVYBSLSU-UHFFFAOYSA-N Synonym: 6-ethoxy-2-mercaptobenzothiazole,6-ethoxybenzothiazole-2-thiol,2 3h-benzothiazolethione, 6-ethoxy,6-ethoxybenzothiazolethiol,usaf pd-58,6-ethoxy-2-benzothiazolethiol,6-ethoxybenzo d thiazole-2 3h-thione,6-ethoxy-1,3-benzothiazole-2-thiol,2-mercapto-6-ethoxybenzothiazole,2-benzothiazolethiol, 6-ethoxy PubChem CID: 719344 IUPAC Name: 6-ethoxy-3H-1,3-benzothiazole-2-thione SMILES: CCOC1=CC2=C(C=C1)NC(=S)S2
3,4-Dihydro-2H-1,5-benzodioxepin-7-amine, 98%
CAS: 175136-34-2 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00218806 InChI Key: FVLCICVRAPEYNX-UHFFFAOYSA-N PubChem CID: 2775654 IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-amine SMILES: C1COC2=C(C=C(C=C2)N)OC1
2-tert-Butoxy-6-chloropyridine, 97%
CAS: 547740-43-2 Molecular Formula: C9H12ClNO Molecular Weight (g/mol): 185.651 MDL Number: MFCD08705263 InChI Key: PLDRTFJRLUKTTA-UHFFFAOYSA-N Synonym: 2-tert-butoxy-6-chloropyridine,acmc-20anmt,2-tert-butoxy-6-chloro-pyridine,pyridine, 2-chloro-6-1,1-dimethylethoxy PubChem CID: 11984350 IUPAC Name: 2-chloro-6-[(2-methylpropan-2-yl)oxy]pyridine SMILES: CC(C)(C)OC1=NC(=CC=C1)Cl
2-Cyclopropylmethoxy-3-iodopyridine, 97%
CAS: 766557-62-4 Molecular Formula: C9H10INO Molecular Weight (g/mol): 275.09 MDL Number: MFCD06659010 InChI Key: ILSBVXOYWKUWLJ-UHFFFAOYSA-N Synonym: 2-cyclopropylmethoxy-3-iodo-pyridine,2-cyclopropylmethoxy-3-iodopyridine,2-cyclopropyl-methoxy-3-iodopyridine,pubchem16562,acmc-20anx8,pyridine,2-cyclopropylmethoxy-3-iodo,2-cyclopropylmethoxy-3-iodanyl-pyridine,pyridine, 2-cyclopropylmethoxy-3-iodo PubChem CID: 17750186 IUPAC Name: 2-(cyclopropylmethoxy)-3-iodopyridine SMILES: IC1=CC=CN=C1OCC1CC1
5-Bromo-2-methoxy-3-methylpyridine, 97%
CAS: 760207-87-2 Molecular Formula: C7H8BrNO Molecular Weight (g/mol): 202.051 MDL Number: MFCD07375124 InChI Key: RHYCFMXPPGZHAW-UHFFFAOYSA-N Synonym: pyridine, 5-bromo-2-methoxy-3-methyl,5-bromo-3-methyl-2-methoxypyridine,5-bromo-2-methoxy-3-methyl-pyridine,5-bromo-2-methoxy-3-picoline,pubchem22058,acmc-209p1f,ksc496k0b,abbypharma ap-10-5114 PubChem CID: 22591176 IUPAC Name: 5-bromo-2-methoxy-3-methylpyridine SMILES: CC1=CC(=CN=C1OC)Br
1-Ethoxy-2-propanol, 90+%, remainder 2-ethoxy-1-propanol
CAS: 1569-02-4 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00067050 InChI Key: JOLQKTGDSGKSKJ-UHFFFAOYNA-N Synonym: 1-ethoxy-2-propanol,propylene glycol monoethyl ether,2-propanol, 1-ethoxy,propylene glycol ethyl ether,1-ethoxy-propan-2-ol,arcosolv r pe,1-ethoxy-2-propan,1-ethoxy-2-propano,acmc-1byqk,2-hydroxypropylethylether PubChem CID: 15287 IUPAC Name: 1-ethoxypropan-2-ol SMILES: CCOCC(C)O
3-(2-Methoxy-3-pyridyl)acrylic acid, 95%
CAS: 131674-41-4 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD07781156 InChI Key: MTVRDAQJMCORAQ-SNAWJCMRSA-N Synonym: 3-2-methoxy-3-pyridyl acrylic acid,e-3-2-methoxypyridin-3-yl acrylic acid,3-2-methoxypyridin-3-yl acrylic acid,2e-3-2-methoxypyridin-3-yl prop-2-enoic acid,2e-3-2-methoxy 3-pyridyl prop-2-enoic acid PubChem CID: 14691926 IUPAC Name: (E)-3-(2-methoxypyridin-3-yl)prop-2-enoic acid SMILES: COC1=C(C=CC=N1)C=CC(=O)O
3-Benzoylpropionic acid, 98+%
CAS: 2051-95-8 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00002792 InChI Key: KMQLIDDEQAJAGJ-UHFFFAOYSA-N Synonym: 3-benzoylpropionic acid,4-oxo-4-phenylbutyric acid,3-benzoylpropanoic acid,beta-benzoylpropionic acid,benzoylpropionic acid,propanoic acid, 3-benzoyl,benzenebutanoic acid, .gamma.-oxo,3-benzoylpropionicacid,propionic acid, 3-benzoyl,4-phenyl-4-oxobutyric acid PubChem CID: 72871 ChEBI: CHEBI:64437 IUPAC Name: 4-oxo-4-phenylbutanoic acid SMILES: OC(=O)CCC(=O)C1=CC=CC=C1
N1-(4-acetyl-3-hydroxyphenyl)acetamide, Thermo Scientific™
CAS: 40547-58-8 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.202 InChI Key: ZSSHNMZQDWSUJJ-UHFFFAOYSA-N Synonym: n-4-acetyl-3-hydroxyphenyl acetamide,n1-4-acetyl-3-hydroxyphenyl acetamide,4'-acetamido-2'-hydroxyacetophenone,acetamide, n-4-acetyl-3-hydroxyphenyl,4-acetamido-2-hydroxyacetophenone,n-4-acetyl-3-hydroxy-phenyl acetamide,n-4-acetyl-3-hydroxy-phenyl-acetamide PubChem CID: 2775185 IUPAC Name: N-(4-acetyl-3-hydroxyphenyl)acetamide SMILES: CC(=O)C1=C(C=C(C=C1)NC(=O)C)O
2-Bromo-1-(4-thien-3-ylphenyl)ethanone, ≥95%, Thermo Scientific™
CAS: 879896-53-4 Molecular Formula: C12H9BrOS Molecular Weight (g/mol): 281.17 MDL Number: MFCD08435894 InChI Key: ZTZQYKSMNMDCKR-UHFFFAOYSA-N Synonym: 2-bromo-1-4-thien-3-ylphenyl ethanone,ethanone,2-bromo-1-4-3-thienyl phenyl,2-bromo-1-4-thiophen-3-yl phenyl ethanone,2-bromo-1-4-thiophen-3-yl phenyl ethan-1-one PubChem CID: 18525829 IUPAC Name: 2-bromo-1-(4-thiophen-3-ylphenyl)ethanone SMILES: BrCC(=O)C1=CC=C(C=C1)C1=CSC=C1