Organooxygen compounds
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2-Pentyn-1-ol 98.0+%, TCI America™
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CAS: 6261-22-9 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00040915 InChI Key: WLPYSOCRPHTIDZ-UHFFFAOYSA-N Synonym: 2-pentyn-1-ol,2-pentyne-1-ol,2-pentynol,zlchem 1280,pubchem13063,acmc-209n5w,ksc357i0r,2-pentyn-1-01 PubChem CID: 80421 IUPAC Name: pent-2-yn-1-ol SMILES: CCC#CCO
| PubChem CID | 80421 |
|---|---|
| CAS | 6261-22-9 |
| Molecular Weight (g/mol) | 84.118 |
| MDL Number | MFCD00040915 |
| SMILES | CCC#CCO |
| Synonym | 2-pentyn-1-ol,2-pentyne-1-ol,2-pentynol,zlchem 1280,pubchem13063,acmc-209n5w,ksc357i0r,2-pentyn-1-01 |
| IUPAC Name | pent-2-yn-1-ol |
| InChI Key | WLPYSOCRPHTIDZ-UHFFFAOYSA-N |
| Molecular Formula | C5H8O |
5-Bromoindole-3-carboxaldehyde 98.0+%, TCI America™
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CAS: 877-03-2 Molecular Formula: C9H6BrNO Molecular Weight (g/mol): 224.057 MDL Number: MFCD00152016 InChI Key: PEENKJZANBYXNB-UHFFFAOYSA-N Synonym: 5-bromoindole-3-carboxaldehyde,5-bromoindole-3-carbaldehyde,5-bromoindole-3-carboxyaldehyde,5-bromo-3-formylindole,5-bromoindole-3-aldehyde,5-bromo-3-formyl-1h-indole,5-bromo-1h-indole-3-carboxaldehyde,1h-indole-3-carboxaldehyde, 5-bromo,pubchem9122,acmc-209qpj PubChem CID: 70137 IUPAC Name: 5-bromo-1H-indole-3-carbaldehyde SMILES: C1=CC2=C(C=C1Br)C(=CN2)C=O
| PubChem CID | 70137 |
|---|---|
| CAS | 877-03-2 |
| Molecular Weight (g/mol) | 224.057 |
| MDL Number | MFCD00152016 |
| SMILES | C1=CC2=C(C=C1Br)C(=CN2)C=O |
| Synonym | 5-bromoindole-3-carboxaldehyde,5-bromoindole-3-carbaldehyde,5-bromoindole-3-carboxyaldehyde,5-bromo-3-formylindole,5-bromoindole-3-aldehyde,5-bromo-3-formyl-1h-indole,5-bromo-1h-indole-3-carboxaldehyde,1h-indole-3-carboxaldehyde, 5-bromo,pubchem9122,acmc-209qpj |
| IUPAC Name | 5-bromo-1H-indole-3-carbaldehyde |
| InChI Key | PEENKJZANBYXNB-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrNO |
3-(4-Chlorobenzoyl)propionic Acid 98.0+%, TCI America™
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CAS: 3984-34-7 Molecular Formula: C10H9ClO3 Molecular Weight (g/mol): 212.63 MDL Number: MFCD00002794 InChI Key: AHVASTJJVAYFPY-UHFFFAOYSA-N Synonym: 4-4-chlorophenyl-4-oxobutanoic acid,3-4-chlorobenzoyl propionic acid,4-4-chloro-phenyl-4-oxo-butyric acid,3-4-chlorobenzoyl propanoic acid,3-p-chlorobenzoyl propionic acid,4-4-chlorophenyl-4-oxobutanoicacid,maybridge1_006214,ncistruc1_000312,ncistruc2_000239,asischem d51605 PubChem CID: 77604 IUPAC Name: 4-(4-chlorophenyl)-4-oxobutanoic acid SMILES: OC(=O)CCC(=O)C1=CC=C(Cl)C=C1
| PubChem CID | 77604 |
|---|---|
| CAS | 3984-34-7 |
| Molecular Weight (g/mol) | 212.63 |
| MDL Number | MFCD00002794 |
| SMILES | OC(=O)CCC(=O)C1=CC=C(Cl)C=C1 |
| Synonym | 4-4-chlorophenyl-4-oxobutanoic acid,3-4-chlorobenzoyl propionic acid,4-4-chloro-phenyl-4-oxo-butyric acid,3-4-chlorobenzoyl propanoic acid,3-p-chlorobenzoyl propionic acid,4-4-chlorophenyl-4-oxobutanoicacid,maybridge1_006214,ncistruc1_000312,ncistruc2_000239,asischem d51605 |
| IUPAC Name | 4-(4-chlorophenyl)-4-oxobutanoic acid |
| InChI Key | AHVASTJJVAYFPY-UHFFFAOYSA-N |
| Molecular Formula | C10H9ClO3 |
4'-(Methylthio)acetophenone 98.0+%, TCI America™
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CAS: 1778-09-2 Molecular Formula: C9H10OS Molecular Weight (g/mol): 166.24 MDL Number: MFCD00039835 InChI Key: JECUZQLBQKNEMW-UHFFFAOYSA-N Synonym: 4'-methylthio acetophenone,4-methylthio acetophenone,4'-methylthioacetophenone,1-4-methylsulfanyl phenyl ethanone,4-acetyl thioanisole,4'-methylmercapto acetophenone,1-4-methylthio phenyl ethanone,1-4-methylthio phenyl ethan-1-one,1-4-methylsulfanylphenyl ethanone PubChem CID: 74501 IUPAC Name: 1-[4-(methylsulfanyl)phenyl]ethan-1-one SMILES: CSC1=CC=C(C=C1)C(C)=O
| PubChem CID | 74501 |
|---|---|
| CAS | 1778-09-2 |
| Molecular Weight (g/mol) | 166.24 |
| MDL Number | MFCD00039835 |
| SMILES | CSC1=CC=C(C=C1)C(C)=O |
| Synonym | 4'-methylthio acetophenone,4-methylthio acetophenone,4'-methylthioacetophenone,1-4-methylsulfanyl phenyl ethanone,4-acetyl thioanisole,4'-methylmercapto acetophenone,1-4-methylthio phenyl ethanone,1-4-methylthio phenyl ethan-1-one,1-4-methylsulfanylphenyl ethanone |
| IUPAC Name | 1-[4-(methylsulfanyl)phenyl]ethan-1-one |
| InChI Key | JECUZQLBQKNEMW-UHFFFAOYSA-N |
| Molecular Formula | C9H10OS |
Ethyl 2-Hydroxyisobutyrate 98.0+%, TCI America™
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CAS: 80-55-7 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00004458 InChI Key: GFUIDHWFLMPAGY-UHFFFAOYSA-N Synonym: ethyl 2-hydroxyisobutyrate,ethyl 2-hydroxy-2-methylpropionate,ethyl 2-methyllactate,propanoic acid, 2-hydroxy-2-methyl-, ethyl ester,ethyl alpha-hydroxyisobutyrate,2-methyllactic acid ethyl ester,ethyl,a-hydroxyisobutyrate,lactic acid, 2-methyl-, ethyl ester,unii-s1530mcv3x,ethyl-2-hydroxyisobutyrate PubChem CID: 6653 IUPAC Name: ethyl 2-hydroxy-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)O
| PubChem CID | 6653 |
|---|---|
| CAS | 80-55-7 |
| Molecular Weight (g/mol) | 132.16 |
| MDL Number | MFCD00004458 |
| SMILES | CCOC(=O)C(C)(C)O |
| Synonym | ethyl 2-hydroxyisobutyrate,ethyl 2-hydroxy-2-methylpropionate,ethyl 2-methyllactate,propanoic acid, 2-hydroxy-2-methyl-, ethyl ester,ethyl alpha-hydroxyisobutyrate,2-methyllactic acid ethyl ester,ethyl,a-hydroxyisobutyrate,lactic acid, 2-methyl-, ethyl ester,unii-s1530mcv3x,ethyl-2-hydroxyisobutyrate |
| IUPAC Name | ethyl 2-hydroxy-2-methylpropanoate |
| InChI Key | GFUIDHWFLMPAGY-UHFFFAOYSA-N |
| Molecular Formula | C6H12O3 |
Pyruvic Aldehyde Dimethyl Acetal 97.0+%, TCI America™
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CAS: 6342-56-9 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.132 MDL Number: MFCD00008758 InChI Key: ULVSHNOGEVXRDR-UHFFFAOYSA-N Synonym: 1,1-dimethoxyacetone,pyruvic aldehyde dimethyl acetal,2-propanone, 1,1-dimethoxy,methylglyoxal dimethyl acetal,1,1-dimethoxy-2-propanone,dimethoxymethyl methyl ketone,pyruvaldehyde dimethyl acetal,1,1-dimethoxy acetone,dimethoxyacetone,pyruvaldehyde, 1-dimethyl acetal PubChem CID: 80650 IUPAC Name: 1,1-dimethoxypropan-2-one SMILES: CC(=O)C(OC)OC
| PubChem CID | 80650 |
|---|---|
| CAS | 6342-56-9 |
| Molecular Weight (g/mol) | 118.132 |
| MDL Number | MFCD00008758 |
| SMILES | CC(=O)C(OC)OC |
| Synonym | 1,1-dimethoxyacetone,pyruvic aldehyde dimethyl acetal,2-propanone, 1,1-dimethoxy,methylglyoxal dimethyl acetal,1,1-dimethoxy-2-propanone,dimethoxymethyl methyl ketone,pyruvaldehyde dimethyl acetal,1,1-dimethoxy acetone,dimethoxyacetone,pyruvaldehyde, 1-dimethyl acetal |
| IUPAC Name | 1,1-dimethoxypropan-2-one |
| InChI Key | ULVSHNOGEVXRDR-UHFFFAOYSA-N |
| Molecular Formula | C5H10O3 |
1-Bromo-2-methoxymethylnaphthalene 98.0+%, TCI America™
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CAS: 64689-70-9 Molecular Formula: C12H11BrO Molecular Weight (g/mol): 251.123 MDL Number: MFCD00059518 InChI Key: ORYVAZPUJFACFR-UHFFFAOYSA-N PubChem CID: 12385765 IUPAC Name: 1-bromo-2-(methoxymethyl)naphthalene SMILES: COCC1=C(C2=CC=CC=C2C=C1)Br
| PubChem CID | 12385765 |
|---|---|
| CAS | 64689-70-9 |
| Molecular Weight (g/mol) | 251.123 |
| MDL Number | MFCD00059518 |
| SMILES | COCC1=C(C2=CC=CC=C2C=C1)Br |
| IUPAC Name | 1-bromo-2-(methoxymethyl)naphthalene |
| InChI Key | ORYVAZPUJFACFR-UHFFFAOYSA-N |
| Molecular Formula | C12H11BrO |
4-Penten-1-ol 98.0+%, TCI America™
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CAS: 821-09-0 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.134 MDL Number: MFCD00002975 InChI Key: LQAVWYMTUMSFBE-UHFFFAOYSA-N Synonym: 4-penten-1-ol,4-pentenol,4-pentenyl alcohol,2-allylethyl alcohol,unii-w0558tqc6f,4-pentene-1-ol,4-pentenol-1,4-penten-1ol,4penten-1-ol,5-hydroxy-1-pentene PubChem CID: 13181 IUPAC Name: pent-4-en-1-ol SMILES: C=CCCCO
| PubChem CID | 13181 |
|---|---|
| CAS | 821-09-0 |
| Molecular Weight (g/mol) | 86.134 |
| MDL Number | MFCD00002975 |
| SMILES | C=CCCCO |
| Synonym | 4-penten-1-ol,4-pentenol,4-pentenyl alcohol,2-allylethyl alcohol,unii-w0558tqc6f,4-pentene-1-ol,4-pentenol-1,4-penten-1ol,4penten-1-ol,5-hydroxy-1-pentene |
| IUPAC Name | pent-4-en-1-ol |
| InChI Key | LQAVWYMTUMSFBE-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |
2-Benzoylacetanilide 98.0+%, TCI America™
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CAS: 959-66-0 Molecular Formula: C15H13NO2 Molecular Weight (g/mol): 239.27 MDL Number: MFCD00003084 InChI Key: XRZDIHADHZSFBB-UHFFFAOYSA-N Synonym: 2-benzoylacetanilide,benzoylacetanilide,3-oxo-3-phenylpropionanilide,benzenepropanamide, .beta.-oxo-n-phenyl,acetamide,n-2-benzoylphenyl,3-oxo-3-phenyl-n-phenylpropanamide,alpha-benzoylacetanilide,benzoylacetoanilide,.alpha.-benzoylacetanilide,.alpha.-benzoylacetoanilide PubChem CID: 70398 IUPAC Name: 3-oxo-N,3-diphenylpropanamide SMILES: O=C(CC(=O)C1=CC=CC=C1)NC1=CC=CC=C1
| PubChem CID | 70398 |
|---|---|
| CAS | 959-66-0 |
| Molecular Weight (g/mol) | 239.27 |
| MDL Number | MFCD00003084 |
| SMILES | O=C(CC(=O)C1=CC=CC=C1)NC1=CC=CC=C1 |
| Synonym | 2-benzoylacetanilide,benzoylacetanilide,3-oxo-3-phenylpropionanilide,benzenepropanamide, .beta.-oxo-n-phenyl,acetamide,n-2-benzoylphenyl,3-oxo-3-phenyl-n-phenylpropanamide,alpha-benzoylacetanilide,benzoylacetoanilide,.alpha.-benzoylacetanilide,.alpha.-benzoylacetoanilide |
| IUPAC Name | 3-oxo-N,3-diphenylpropanamide |
| InChI Key | XRZDIHADHZSFBB-UHFFFAOYSA-N |
| Molecular Formula | C15H13NO2 |
Tetramethylene Glycol Monovinyl Ether (stabilized with KOH) 97.0+%, TCI America™
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CAS: 17832-28-9 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00080697 InChI Key: HMBNQNDUEFFFNZ-UHFFFAOYSA-N Synonym: 4-vinyloxy butan-1-ol,1-butanol, 4-ethenyloxy,4-hydroxybutyl vinyl ether,hydroxybutyl vinyl ether,unii-8lgm5rzx0n,4-vinyloxybutanol,4-ethenyloxy butan-1-ol,8lgm5rzx0n,1,4-butanediol monovinyl ether,hbuve PubChem CID: 87329 IUPAC Name: 4-(ethenyloxy)butan-1-ol SMILES: OCCCCOC=C
| PubChem CID | 87329 |
|---|---|
| CAS | 17832-28-9 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00080697 |
| SMILES | OCCCCOC=C |
| Synonym | 4-vinyloxy butan-1-ol,1-butanol, 4-ethenyloxy,4-hydroxybutyl vinyl ether,hydroxybutyl vinyl ether,unii-8lgm5rzx0n,4-vinyloxybutanol,4-ethenyloxy butan-1-ol,8lgm5rzx0n,1,4-butanediol monovinyl ether,hbuve |
| IUPAC Name | 4-(ethenyloxy)butan-1-ol |
| InChI Key | HMBNQNDUEFFFNZ-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
2-(Methylsulfonyl)acetophenone 98.0+%, TCI America™
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CAS: 3708-04-1 Molecular Formula: C9H10O3S Molecular Weight (g/mol): 198.24 MDL Number: MFCD00025078 InChI Key: CAUSPZIZBLGLKW-UHFFFAOYSA-N Synonym: Benzoylmethyl Methyl Sulfone, Methyl Phenacyl Sulfone PubChem CID: 19457 IUPAC Name: 2-methylsulfonyl-1-phenylethanone SMILES: CS(=O)(=O)CC(=O)C1=CC=CC=C1
| PubChem CID | 19457 |
|---|---|
| CAS | 3708-04-1 |
| Molecular Weight (g/mol) | 198.24 |
| MDL Number | MFCD00025078 |
| SMILES | CS(=O)(=O)CC(=O)C1=CC=CC=C1 |
| Synonym | Benzoylmethyl Methyl Sulfone, Methyl Phenacyl Sulfone |
| IUPAC Name | 2-methylsulfonyl-1-phenylethanone |
| InChI Key | CAUSPZIZBLGLKW-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3S |
4'-Fluoro-3'-nitroacetophenone 98.0+%, TCI America™
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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 |
2-Mercapto-5-methoxybenzothiazole 98.0+%, TCI America™
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CAS: 55690-60-3 Molecular Formula: C8H7NOS2 Molecular Weight (g/mol): 197.27 MDL Number: MFCD00185941 InChI Key: JDPITNFDYXOKRM-UHFFFAOYSA-N Synonym: 5-methoxybenzo d thiazole-2-thiol,2-mercapto-5-methoxybenzothiazole,5-methoxybenzothiazole-2-thiol,5-methoxy-1,3-benzothiazole-2-thiol,5-methoxybenzothiazole-2 3h-thione,5-methoxy-2-benzothiazolethiol,5-methoxy-2-mercaptobenzothiazole,2-mercapto-5-methoxy-benzothiazole,acmc-209loj,2-mercapto5-methoxybenzothiazole PubChem CID: 2830679 IUPAC Name: 5-methoxy-2,3-dihydro-1,3-benzothiazole-2-thione SMILES: COC1=CC=C2SC(=S)NC2=C1
| PubChem CID | 2830679 |
|---|---|
| CAS | 55690-60-3 |
| Molecular Weight (g/mol) | 197.27 |
| MDL Number | MFCD00185941 |
| SMILES | COC1=CC=C2SC(=S)NC2=C1 |
| Synonym | 5-methoxybenzo d thiazole-2-thiol,2-mercapto-5-methoxybenzothiazole,5-methoxybenzothiazole-2-thiol,5-methoxy-1,3-benzothiazole-2-thiol,5-methoxybenzothiazole-2 3h-thione,5-methoxy-2-benzothiazolethiol,5-methoxy-2-mercaptobenzothiazole,2-mercapto-5-methoxy-benzothiazole,acmc-209loj,2-mercapto5-methoxybenzothiazole |
| IUPAC Name | 5-methoxy-2,3-dihydro-1,3-benzothiazole-2-thione |
| InChI Key | JDPITNFDYXOKRM-UHFFFAOYSA-N |
| Molecular Formula | C8H7NOS2 |
2-(Hydroxymethyl)-12-crown 4-Ether 95.0+%, TCI America™
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CAS: 75507-26-5 Molecular Formula: C9H18O5 Molecular Weight (g/mol): 206.238 MDL Number: MFCD00067524 InChI Key: NJIPEIQHUNDGPY-UHFFFAOYSA-N Synonym: 1,4,7,10-tetraoxacyclododecane-2-methanol,2-hydroxymethyl-12-crown-4,2-hydroxymethyl-12-crown4-ether,1,4,7,10-tetraoxacyclododecan-2-ylmethanol,2-hydroxymethyl-12-crown,2-hydroxymethyl-12-crown 4-ether,2-hydroxymethyl-12-crown-4-ether,2-hydroxymethyl-1,2-crown 4-ether,1,4,7,10-tetraoxacyclododecan-2-methanol,2,5,8,11-tetraoxacyclododecyl methan-1-ol PubChem CID: 2733085 IUPAC Name: 1,4,7,10-tetraoxacyclododec-2-ylmethanol SMILES: C1COCCOC(COCCO1)CO
| PubChem CID | 2733085 |
|---|---|
| CAS | 75507-26-5 |
| Molecular Weight (g/mol) | 206.238 |
| MDL Number | MFCD00067524 |
| SMILES | C1COCCOC(COCCO1)CO |
| Synonym | 1,4,7,10-tetraoxacyclododecane-2-methanol,2-hydroxymethyl-12-crown-4,2-hydroxymethyl-12-crown4-ether,1,4,7,10-tetraoxacyclododecan-2-ylmethanol,2-hydroxymethyl-12-crown,2-hydroxymethyl-12-crown 4-ether,2-hydroxymethyl-12-crown-4-ether,2-hydroxymethyl-1,2-crown 4-ether,1,4,7,10-tetraoxacyclododecan-2-methanol,2,5,8,11-tetraoxacyclododecyl methan-1-ol |
| IUPAC Name | 1,4,7,10-tetraoxacyclododec-2-ylmethanol |
| InChI Key | NJIPEIQHUNDGPY-UHFFFAOYSA-N |
| Molecular Formula | C9H18O5 |
3'-Bromoacetophenone 98.0+%, TCI America™
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CAS: 2142-63-4 Molecular Formula: C8H7BrO Molecular Weight (g/mol): 199.047 MDL Number: MFCD00000083 InChI Key: JYAQYXOVOHJRCS-UHFFFAOYSA-N Synonym: 3'-bromoacetophenone,m-bromoacetophenone,1-3-bromophenyl ethanone,1-3-bromophenyl ethan-1-one,ethanone, 1-3-bromophenyl,1-acetyl-3-bromobenzene,3-bromoacetophenone,1-3-bromo-phenyl-ethanone,3-bromo acetophenone,acetophenone, 3'-bromo PubChem CID: 16502 IUPAC Name: 1-(3-bromophenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)Br
| PubChem CID | 16502 |
|---|---|
| CAS | 2142-63-4 |
| Molecular Weight (g/mol) | 199.047 |
| MDL Number | MFCD00000083 |
| SMILES | CC(=O)C1=CC(=CC=C1)Br |
| Synonym | 3'-bromoacetophenone,m-bromoacetophenone,1-3-bromophenyl ethanone,1-3-bromophenyl ethan-1-one,ethanone, 1-3-bromophenyl,1-acetyl-3-bromobenzene,3-bromoacetophenone,1-3-bromo-phenyl-ethanone,3-bromo acetophenone,acetophenone, 3'-bromo |
| IUPAC Name | 1-(3-bromophenyl)ethanone |
| InChI Key | JYAQYXOVOHJRCS-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO |