Organooxygen compounds
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trans-1,4-Cyclohexanedimethanol 98.0+%, TCI America™
CAS: 3236-48-4 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00001512,MFCD00066360 InChI Key: YIMQCDZDWXUDCA-UHFFFAOYSA-N Synonym: 1,4-cyclohexanedimethanol,trans-1,4-cyclohexanedimethanol,chdm,1,4-bis hydroxymethyl cyclohexane,rikabinol dm,cyclohexane-1,4-dimethanol,1,4-chidm,1,4-dimethylolcyclohexane,4-hydroxymethyl cyclohexyl methanol,1,4-cyclohexanedimethanol, cis PubChem CID: 7735 IUPAC Name: [4-(hydroxymethyl)cyclohexyl]methanol SMILES: OCC1CCC(CO)CC1
| PubChem CID | 7735 |
|---|---|
| CAS | 3236-48-4 |
| Molecular Weight (g/mol) | 144.21 |
| MDL Number | MFCD00001512,MFCD00066360 |
| SMILES | OCC1CCC(CO)CC1 |
| Synonym | 1,4-cyclohexanedimethanol,trans-1,4-cyclohexanedimethanol,chdm,1,4-bis hydroxymethyl cyclohexane,rikabinol dm,cyclohexane-1,4-dimethanol,1,4-chidm,1,4-dimethylolcyclohexane,4-hydroxymethyl cyclohexyl methanol,1,4-cyclohexanedimethanol, cis |
| IUPAC Name | [4-(hydroxymethyl)cyclohexyl]methanol |
| InChI Key | YIMQCDZDWXUDCA-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
3-Bromothiophene-2-carboxaldehyde 95.0+%, TCI America™
CAS: 930-96-1 Molecular Formula: C5H3BrOS Molecular Weight (g/mol): 191.04 MDL Number: MFCD00126680 InChI Key: BCZHCWCOQDRYGS-UHFFFAOYSA-N Synonym: 3-bromothiophene-2-carboxaldehyde,3-bromo-2-formylthiophene,3-bromo-2-thiophenecarbaldehyde,3-bromo-2-thiophene carboxaldehyde,3-bromo-thiophene-2-carbaldehyde,2-thiophenecarboxaldehyde, 3-bromo,bromothiophenecarbaldehyde,3-bromothiophene-2-aldehyde,pubchem5327,acmc-209rjz PubChem CID: 2797079 IUPAC Name: 3-bromothiophene-2-carbaldehyde SMILES: BrC1=C(SC=C1)C=O
| PubChem CID | 2797079 |
|---|---|
| CAS | 930-96-1 |
| Molecular Weight (g/mol) | 191.04 |
| MDL Number | MFCD00126680 |
| SMILES | BrC1=C(SC=C1)C=O |
| Synonym | 3-bromothiophene-2-carboxaldehyde,3-bromo-2-formylthiophene,3-bromo-2-thiophenecarbaldehyde,3-bromo-2-thiophene carboxaldehyde,3-bromo-thiophene-2-carbaldehyde,2-thiophenecarboxaldehyde, 3-bromo,bromothiophenecarbaldehyde,3-bromothiophene-2-aldehyde,pubchem5327,acmc-209rjz |
| IUPAC Name | 3-bromothiophene-2-carbaldehyde |
| InChI Key | BCZHCWCOQDRYGS-UHFFFAOYSA-N |
| Molecular Formula | C5H3BrOS |
Bupropion Hydrochloride 98.0+%, TCI America™
CAS: 31677-93-7 Molecular Formula: C13H19Cl2NO Molecular Weight (g/mol): 276.201 MDL Number: MFCD00055209 InChI Key: HEYVINCGKDONRU-UHFFFAOYSA-N Synonym: bupropion hydrochloride,wellbutrin,2-tert-butylamino-1-3-chlorophenyl propan-1-one hydrochloride,bupropion hcl,zyban,wellbutrin xl,bupropion hydrocloride,wellbutrin sr,budeprion,forfivo xl PubChem CID: 62884 IUPAC Name: 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrochloride SMILES: CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C.Cl
| PubChem CID | 62884 |
|---|---|
| CAS | 31677-93-7 |
| Molecular Weight (g/mol) | 276.201 |
| MDL Number | MFCD00055209 |
| SMILES | CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C.Cl |
| Synonym | bupropion hydrochloride,wellbutrin,2-tert-butylamino-1-3-chlorophenyl propan-1-one hydrochloride,bupropion hcl,zyban,wellbutrin xl,bupropion hydrocloride,wellbutrin sr,budeprion,forfivo xl |
| IUPAC Name | 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrochloride |
| InChI Key | HEYVINCGKDONRU-UHFFFAOYSA-N |
| Molecular Formula | C13H19Cl2NO |
6-Methyl-4-chromanone 98.0+%, TCI America™
CAS: 39513-75-2 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00024071 InChI Key: RJHXEPLSJAVTFW-UHFFFAOYSA-N PubChem CID: 584354 IUPAC Name: 6-methyl-3,4-dihydro-2H-1-benzopyran-4-one SMILES: CC1=CC2=C(OCCC2=O)C=C1
| PubChem CID | 584354 |
|---|---|
| CAS | 39513-75-2 |
| Molecular Weight (g/mol) | 162.19 |
| MDL Number | MFCD00024071 |
| SMILES | CC1=CC2=C(OCCC2=O)C=C1 |
| IUPAC Name | 6-methyl-3,4-dihydro-2H-1-benzopyran-4-one |
| InChI Key | RJHXEPLSJAVTFW-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
3,5-Dimethylisoxazole-4-carboxaldehyde 98.0+%, TCI America™
CAS: 54593-26-9 Molecular Formula: C6H7NO2 Molecular Weight (g/mol): 125.127 MDL Number: MFCD02681977 InChI Key: TVAYXKLCEILMEA-UHFFFAOYSA-N Synonym: 3,5-dimethyl-4-isoxazolecarbaldehyde,3,5-dimethylisoxazole-4-carbaldehyde,3,5-dimethylisoxazole-4-carboxaldehyde,4-isoxazolecarboxaldehyde, 3,5-dimethyl,3,5-dimethyl-4-isoxazolecarboxaldehyde,3,5-dimethyl-4-formalisoxazole,pubchem8682,acmc-1axd1,ksc496e3j,3,5-dimethylisoxazol-4-carbaldehyde PubChem CID: 289576 IUPAC Name: 3,5-dimethyl-1,2-oxazole-4-carbaldehyde SMILES: CC1=C(C(=NO1)C)C=O
| PubChem CID | 289576 |
|---|---|
| CAS | 54593-26-9 |
| Molecular Weight (g/mol) | 125.127 |
| MDL Number | MFCD02681977 |
| SMILES | CC1=C(C(=NO1)C)C=O |
| Synonym | 3,5-dimethyl-4-isoxazolecarbaldehyde,3,5-dimethylisoxazole-4-carbaldehyde,3,5-dimethylisoxazole-4-carboxaldehyde,4-isoxazolecarboxaldehyde, 3,5-dimethyl,3,5-dimethyl-4-isoxazolecarboxaldehyde,3,5-dimethyl-4-formalisoxazole,pubchem8682,acmc-1axd1,ksc496e3j,3,5-dimethylisoxazol-4-carbaldehyde |
| IUPAC Name | 3,5-dimethyl-1,2-oxazole-4-carbaldehyde |
| InChI Key | TVAYXKLCEILMEA-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO2 |
Anthraquinone-2-carbonyl Chloride 98.0+%, TCI America™
CAS: 6470-87-7 Molecular Formula: C14H10ClN3O3S Molecular Weight (g/mol): 335.76 MDL Number: MFCD00059498 InChI Key: QBUULMJMEMIBIA-UHFFFAOYSA-N PubChem CID: 15025286 IUPAC Name: 1-(4-chlorophenyl)-3-(2-nitrobenzoyl)thiourea SMILES: [O-][N+](=O)C1=CC=CC=C1C(=O)NC(=S)NC1=CC=C(Cl)C=C1
| PubChem CID | 15025286 |
|---|---|
| CAS | 6470-87-7 |
| Molecular Weight (g/mol) | 335.76 |
| MDL Number | MFCD00059498 |
| SMILES | [O-][N+](=O)C1=CC=CC=C1C(=O)NC(=S)NC1=CC=C(Cl)C=C1 |
| IUPAC Name | 1-(4-chlorophenyl)-3-(2-nitrobenzoyl)thiourea |
| InChI Key | QBUULMJMEMIBIA-UHFFFAOYSA-N |
| Molecular Formula | C14H10ClN3O3S |
2-Amino-6-chloro-3-formylchromone 98.0+%, TCI America™
CAS: 68301-77-9 Molecular Formula: C10H6ClNO3 Molecular Weight (g/mol): 223.61 MDL Number: MFCD00139140 InChI Key: GCFVPLUXLQEQJX-UHFFFAOYSA-N Synonym: 2-Amino-6-chlorochromone-3-carboxaldehyde, 2-Amino-6-chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde PubChem CID: 689030 IUPAC Name: 2-amino-6-chloro-4-oxo-4H-chromene-3-carbaldehyde SMILES: NC1=C(C=O)C(=O)C2=CC(Cl)=CC=C2O1
| PubChem CID | 689030 |
|---|---|
| CAS | 68301-77-9 |
| Molecular Weight (g/mol) | 223.61 |
| MDL Number | MFCD00139140 |
| SMILES | NC1=C(C=O)C(=O)C2=CC(Cl)=CC=C2O1 |
| Synonym | 2-Amino-6-chlorochromone-3-carboxaldehyde, 2-Amino-6-chloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde |
| IUPAC Name | 2-amino-6-chloro-4-oxo-4H-chromene-3-carbaldehyde |
| InChI Key | GCFVPLUXLQEQJX-UHFFFAOYSA-N |
| Molecular Formula | C10H6ClNO3 |
4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine 98.0+%, TCI America™
CAS: 113583-35-0 Molecular Formula: C7H10N2O4S Molecular Weight (g/mol): 218.23 MDL Number: MFCD00672151 InChI Key: ITDVJJVNAASTRS-UHFFFAOYSA-N Synonym: 4,6-dimethoxy-2-methylsulfonyl pyrimidine,2-methanesulfonyl-4,6-dimethoxypyrimidine,2-methylsulfonyl-4,6-dimethoxypyrimidine,2-methylsulfony-4,6-dimethoxypyridine,4,6-dimethoxy-2-methylsulfonyl-pyrimidine,2-methanesulfonyl-4,6-dimethoxy-pyrimidine,4,6-dimethoxy-2-methylsulphonyl pyrimidine,pyrimidine, 4,6-dimethoxy-2-methylsulfonyl,pubchem23351,maybridge1_008822 PubChem CID: 838363 IUPAC Name: 2-methanesulfonyl-4,6-dimethoxypyrimidine SMILES: COC1=CC(OC)=NC(=N1)S(C)(=O)=O
| PubChem CID | 838363 |
|---|---|
| CAS | 113583-35-0 |
| Molecular Weight (g/mol) | 218.23 |
| MDL Number | MFCD00672151 |
| SMILES | COC1=CC(OC)=NC(=N1)S(C)(=O)=O |
| Synonym | 4,6-dimethoxy-2-methylsulfonyl pyrimidine,2-methanesulfonyl-4,6-dimethoxypyrimidine,2-methylsulfonyl-4,6-dimethoxypyrimidine,2-methylsulfony-4,6-dimethoxypyridine,4,6-dimethoxy-2-methylsulfonyl-pyrimidine,2-methanesulfonyl-4,6-dimethoxy-pyrimidine,4,6-dimethoxy-2-methylsulphonyl pyrimidine,pyrimidine, 4,6-dimethoxy-2-methylsulfonyl,pubchem23351,maybridge1_008822 |
| IUPAC Name | 2-methanesulfonyl-4,6-dimethoxypyrimidine |
| InChI Key | ITDVJJVNAASTRS-UHFFFAOYSA-N |
| Molecular Formula | C7H10N2O4S |
Benzo-18-crown 6-Ether 96.0+%, TCI America™
CAS: 14098-24-9 Molecular Formula: C16H24O6 Molecular Weight (g/mol): 312.362 MDL Number: MFCD00062741 InChI Key: DSFHXKRFDFROER-UHFFFAOYSA-N PubChem CID: 585779 IUPAC Name: 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene SMILES: C1COCCOCCOC2=CC=CC=C2OCCOCCO1
| PubChem CID | 585779 |
|---|---|
| CAS | 14098-24-9 |
| Molecular Weight (g/mol) | 312.362 |
| MDL Number | MFCD00062741 |
| SMILES | C1COCCOCCOC2=CC=CC=C2OCCOCCO1 |
| IUPAC Name | 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene |
| InChI Key | DSFHXKRFDFROER-UHFFFAOYSA-N |
| Molecular Formula | C16H24O6 |
4'-Chlorobutyrophenone 98.0+%, TCI America™
CAS: 4981-63-9 Molecular Formula: C10H11ClO Molecular Weight (g/mol): 182.65 MDL Number: MFCD00013647 InChI Key: XLCJPQYALLFIPW-UHFFFAOYSA-N Synonym: 4'-chlorobutyrophenone,p-chlorobutyrophenone,1-4-chlorophenyl butan-1-one,1-butanone, 1-4-chlorophenyl,butyrophenone, 4'-chloro,4-chlorophenyl propyl ketone,acmc-1al89,xlcjpqyallfipw-uhfffaoysa,1-4-chlorophenyl-1-butanone # PubChem CID: 70321 IUPAC Name: 1-(4-chlorophenyl)butan-1-one SMILES: CCCC(=O)C1=CC=C(Cl)C=C1
| PubChem CID | 70321 |
|---|---|
| CAS | 4981-63-9 |
| Molecular Weight (g/mol) | 182.65 |
| MDL Number | MFCD00013647 |
| SMILES | CCCC(=O)C1=CC=C(Cl)C=C1 |
| Synonym | 4'-chlorobutyrophenone,p-chlorobutyrophenone,1-4-chlorophenyl butan-1-one,1-butanone, 1-4-chlorophenyl,butyrophenone, 4'-chloro,4-chlorophenyl propyl ketone,acmc-1al89,xlcjpqyallfipw-uhfffaoysa,1-4-chlorophenyl-1-butanone # |
| IUPAC Name | 1-(4-chlorophenyl)butan-1-one |
| InChI Key | XLCJPQYALLFIPW-UHFFFAOYSA-N |
| Molecular Formula | C10H11ClO |
1,3-Dichloro-2-propanone 98.0+%, TCI America™
CAS: 534-07-6 Molecular Formula: C3H4Cl2O Molecular Weight (g/mol): 126.96 MDL Number: MFCD00000937 InChI Key: SUNMBRGCANLOEG-UHFFFAOYSA-N Synonym: 1,3-dichloroacetone,1,3-dichloro-2-propanone,1,3-dichloropropanone,s-dichloroacetone,sym-dichloroacetone,bis chloromethyl ketone,2-propanone, 1,3-dichloro,acetone, 1,3-dichloro,chloromethyl ketone PubChem CID: 10793 IUPAC Name: 1,3-dichloropropan-2-one SMILES: ClCC(=O)CCl
| PubChem CID | 10793 |
|---|---|
| CAS | 534-07-6 |
| Molecular Weight (g/mol) | 126.96 |
| MDL Number | MFCD00000937 |
| SMILES | ClCC(=O)CCl |
| Synonym | 1,3-dichloroacetone,1,3-dichloro-2-propanone,1,3-dichloropropanone,s-dichloroacetone,sym-dichloroacetone,bis chloromethyl ketone,2-propanone, 1,3-dichloro,acetone, 1,3-dichloro,chloromethyl ketone |
| IUPAC Name | 1,3-dichloropropan-2-one |
| InChI Key | SUNMBRGCANLOEG-UHFFFAOYSA-N |
| Molecular Formula | C3H4Cl2O |
Hexyl Acetoacetate 97.0+%, TCI America™
CAS: 13562-84-0 Molecular Formula: C10H18O3 Molecular Weight (g/mol): 186.25 MDL Number: MFCD00059440 InChI Key: QNZLAXONNWOLJY-UHFFFAOYSA-N Synonym: Acetoacetic Acid Hexyl Ester PubChem CID: 83577 IUPAC Name: hexyl 3-oxobutanoate SMILES: CCCCCCOC(=O)CC(C)=O
| PubChem CID | 83577 |
|---|---|
| CAS | 13562-84-0 |
| Molecular Weight (g/mol) | 186.25 |
| MDL Number | MFCD00059440 |
| SMILES | CCCCCCOC(=O)CC(C)=O |
| Synonym | Acetoacetic Acid Hexyl Ester |
| IUPAC Name | hexyl 3-oxobutanoate |
| InChI Key | QNZLAXONNWOLJY-UHFFFAOYSA-N |
| Molecular Formula | C10H18O3 |
3',5'-Dichloro-2,2,2-trifluoroacetophenone 96.0+%, TCI America™
CAS: 130336-16-2 Molecular Formula: C8H3Cl2F3O Molecular Weight (g/mol): 243.006 MDL Number: MFCD01319996 InChI Key: DZDSQRPDUCSOQV-UHFFFAOYSA-N PubChem CID: 2758231 IUPAC Name: 1-(3,5-dichlorophenyl)-2,2,2-trifluoroethanone SMILES: C1=C(C=C(C=C1Cl)Cl)C(=O)C(F)(F)F
| PubChem CID | 2758231 |
|---|---|
| CAS | 130336-16-2 |
| Molecular Weight (g/mol) | 243.006 |
| MDL Number | MFCD01319996 |
| SMILES | C1=C(C=C(C=C1Cl)Cl)C(=O)C(F)(F)F |
| IUPAC Name | 1-(3,5-dichlorophenyl)-2,2,2-trifluoroethanone |
| InChI Key | DZDSQRPDUCSOQV-UHFFFAOYSA-N |
| Molecular Formula | C8H3Cl2F3O |
Benzyl 4-Bromophenyl Ketone 97.0+%, TCI America™
CAS: 2001-29-8 Molecular Formula: C14H11BrO Molecular Weight (g/mol): 275.145 MDL Number: MFCD00016331 InChI Key: MOSIKPSTRPODHQ-UHFFFAOYSA-N Synonym: benzyl 4-bromophenyl ketone,1-4-bromophenyl-2-phenylethanone,4'-bromo-2-phenylacetophenone,4-bromodeoxybenzoin,4-bromodesoxybenzoin,1-4-bromophenyl-2-phenyl-ethanone,ethanone, 1-4-bromophenyl-2-phenyl,1-4-bromophenyl-2-phenylethan-1-one,acmc-1chtj PubChem CID: 519738 IUPAC Name: 1-(4-bromophenyl)-2-phenylethanone SMILES: C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)Br
| PubChem CID | 519738 |
|---|---|
| CAS | 2001-29-8 |
| Molecular Weight (g/mol) | 275.145 |
| MDL Number | MFCD00016331 |
| SMILES | C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)Br |
| Synonym | benzyl 4-bromophenyl ketone,1-4-bromophenyl-2-phenylethanone,4'-bromo-2-phenylacetophenone,4-bromodeoxybenzoin,4-bromodesoxybenzoin,1-4-bromophenyl-2-phenyl-ethanone,ethanone, 1-4-bromophenyl-2-phenyl,1-4-bromophenyl-2-phenylethan-1-one,acmc-1chtj |
| IUPAC Name | 1-(4-bromophenyl)-2-phenylethanone |
| InChI Key | MOSIKPSTRPODHQ-UHFFFAOYSA-N |
| Molecular Formula | C14H11BrO |
4'-Fluoro-3'-nitroacetophenone 98.0+%, TCI America™
CAS: 400-93-1 Molecular Formula: C8H6FNO3 Molecular Weight (g/mol): 183.138 MDL Number: MFCD00115369 InChI Key: PTCNZDJJIOLIKQ-UHFFFAOYSA-N Synonym: 4'-fluoro-3'-nitroacetophenone,1-4-fluoro-3-nitrophenyl ethanone,4-fluoro-3-nitroacetophenone,1-4-fluoro-3-nitrophenyl ethan-1-one,1-4-fluoro-3-nitro-phenyl ethanone,4-fluoro-3'-nitroacetophenone,ethanone, 1-4-fluoro-3-nitrophenyl,4-fluoro-3-nitroacetophneone,3'-nitro-4'-fluoroacetophenone PubChem CID: 2734612 IUPAC Name: 1-(4-fluoro-3-nitrophenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]
| PubChem CID | 2734612 |
|---|---|
| CAS | 400-93-1 |
| Molecular Weight (g/mol) | 183.138 |
| MDL Number | MFCD00115369 |
| SMILES | CC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-] |
| Synonym | 4'-fluoro-3'-nitroacetophenone,1-4-fluoro-3-nitrophenyl ethanone,4-fluoro-3-nitroacetophenone,1-4-fluoro-3-nitrophenyl ethan-1-one,1-4-fluoro-3-nitro-phenyl ethanone,4-fluoro-3'-nitroacetophenone,ethanone, 1-4-fluoro-3-nitrophenyl,4-fluoro-3-nitroacetophneone,3'-nitro-4'-fluoroacetophenone |
| IUPAC Name | 1-(4-fluoro-3-nitrophenyl)ethanone |
| InChI Key | PTCNZDJJIOLIKQ-UHFFFAOYSA-N |
| Molecular Formula | C8H6FNO3 |