Organooxygen compounds
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1-Bromo-2-(2-methoxyethoxy)ethane, 90%, stabilized with sodium carbonate
CAS: 54149-17-6 Molecular Formula: C5H11BrO2 Molecular Weight (g/mol): 183.05 MDL Number: MFCD00000238 InChI Key: HUXJXNSHCKHFIL-UHFFFAOYSA-N Synonym: 1-bromo-2-2-methoxyethoxy ethane,1-2-bromoethoxy-2-methoxyethane,1-bromo-3,6-dioxaheptane,ethane, 1-2-bromoethoxy-2-methoxy,2-2-methoxyethoxy ethyl bromide,1-2-bromoethoxy-2-methoxy-ethane,1-bromo-2-2-methoxy-ethoxy ethane,mpeg2-br,acmc-1alws,7-bromo-2,5-dioxaheptane PubChem CID: 123532 SMILES: COCCOCCBr
| PubChem CID | 123532 |
|---|---|
| CAS | 54149-17-6 |
| Molecular Weight (g/mol) | 183.05 |
| MDL Number | MFCD00000238 |
| SMILES | COCCOCCBr |
| Synonym | 1-bromo-2-2-methoxyethoxy ethane,1-2-bromoethoxy-2-methoxyethane,1-bromo-3,6-dioxaheptane,ethane, 1-2-bromoethoxy-2-methoxy,2-2-methoxyethoxy ethyl bromide,1-2-bromoethoxy-2-methoxy-ethane,1-bromo-2-2-methoxy-ethoxy ethane,mpeg2-br,acmc-1alws,7-bromo-2,5-dioxaheptane |
| InChI Key | HUXJXNSHCKHFIL-UHFFFAOYSA-N |
| Molecular Formula | C5H11BrO2 |
Benzoylnitromethane, 98%
CAS: 614-21-1 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.15 MDL Number: MFCD00010218 InChI Key: JTWHVBNYYWFXSI-UHFFFAOYSA-N Synonym: benzoylnitromethane,ethanone, 2-nitro-1-phenyl,alpha-nitroacetophenone,2-nitro-1-phenylethanon,nitroacetophenone,alpha-nitro acetophenone,acmc-1bdpo,acetophenone, 2-nitro,nitromethyl phenyl ketone,.alpha.-nitroacetophenone PubChem CID: 94833 IUPAC Name: 2-nitro-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)C[N+](=O)[O-]
| PubChem CID | 94833 |
|---|---|
| CAS | 614-21-1 |
| Molecular Weight (g/mol) | 165.15 |
| MDL Number | MFCD00010218 |
| SMILES | C1=CC=C(C=C1)C(=O)C[N+](=O)[O-] |
| Synonym | benzoylnitromethane,ethanone, 2-nitro-1-phenyl,alpha-nitroacetophenone,2-nitro-1-phenylethanon,nitroacetophenone,alpha-nitro acetophenone,acmc-1bdpo,acetophenone, 2-nitro,nitromethyl phenyl ketone,.alpha.-nitroacetophenone |
| IUPAC Name | 2-nitro-1-phenylethanone |
| InChI Key | JTWHVBNYYWFXSI-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO3 |
2-Thiazolecarboxaldehyde, 98%
CAS: 10200-59-6 InChI Key: ZGTFNNUASMWGTM-UHFFFAOYSA-N Synonym: 2-thiazolecarboxaldehyde,thiazole-2-carbaldehyde,2-formylthiazole,thiazole-2-carboxaldehyde,2-formyl thiazole,thiazolecarboxaldehyde,2-formyl-1,3-thiazole,1,3-thiazole-2-carboxaldehyde,2-thiazolecarbaldehyde,pubchem9929 PubChem CID: 2734903 ChEBI: CHEBI:43623 IUPAC Name: 1,3-thiazole-2-carbaldehyde SMILES: C1=CSC(=N1)C=O
| PubChem CID | 2734903 |
|---|---|
| CAS | 10200-59-6 |
| ChEBI | CHEBI:43623 |
| SMILES | C1=CSC(=N1)C=O |
| Synonym | 2-thiazolecarboxaldehyde,thiazole-2-carbaldehyde,2-formylthiazole,thiazole-2-carboxaldehyde,2-formyl thiazole,thiazolecarboxaldehyde,2-formyl-1,3-thiazole,1,3-thiazole-2-carboxaldehyde,2-thiazolecarbaldehyde,pubchem9929 |
| IUPAC Name | 1,3-thiazole-2-carbaldehyde |
| InChI Key | ZGTFNNUASMWGTM-UHFFFAOYSA-N |
1-Dimethylamino-but-1-en-3-one, 98%
CAS: 2802-08-6 Molecular Formula: C6H11NO Molecular Weight (g/mol): 113.16 MDL Number: MFCD00142611 InChI Key: QPWSKIGAQZAJKS-SNAWJCMRSA-N Synonym: e-4-dimethylamino but-3-en-2-one,trans-4-dimethylamino-3-buten-2-one,4-dimethylamino but-3-en-2-one,3e-4-dimethylamino but-3-en-2-one,1-dimethylamino-but-1-en-3-one,4-dimethylamino-3-buten-2-one,3e-4-dimethylamino-3-buten-2-one,3-buten-2-one, 4-dimethylamino-, 3e,3-buten-2-one, 4-dimethylamino,3-buten-2-one, 4-dimethylamino-, 3e-9ci PubChem CID: 5369152 IUPAC Name: (E)-4-(dimethylamino)but-3-en-2-one SMILES: CC(=O)C=CN(C)C
| PubChem CID | 5369152 |
|---|---|
| CAS | 2802-08-6 |
| Molecular Weight (g/mol) | 113.16 |
| MDL Number | MFCD00142611 |
| SMILES | CC(=O)C=CN(C)C |
| Synonym | e-4-dimethylamino but-3-en-2-one,trans-4-dimethylamino-3-buten-2-one,4-dimethylamino but-3-en-2-one,3e-4-dimethylamino but-3-en-2-one,1-dimethylamino-but-1-en-3-one,4-dimethylamino-3-buten-2-one,3e-4-dimethylamino-3-buten-2-one,3-buten-2-one, 4-dimethylamino-, 3e,3-buten-2-one, 4-dimethylamino,3-buten-2-one, 4-dimethylamino-, 3e-9ci |
| IUPAC Name | (E)-4-(dimethylamino)but-3-en-2-one |
| InChI Key | QPWSKIGAQZAJKS-SNAWJCMRSA-N |
| Molecular Formula | C6H11NO |
trans-2-Decenal, 95%
CAS: 3913-81-3 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00014679 InChI Key: MMFCJPPRCYDLLZ-CMDGGOBGSA-N Synonym: trans-2-decenal,e-dec-2-enal,2-decenal,decenal,e-2-decenal,3-heptylacrolein,decenaldehyde,decylenic aldehyde,2-decenal, 2e,2-decenal, e PubChem CID: 5283345 IUPAC Name: (2E)-dec-2-enal SMILES: CCCCCCC\C=C\C=O
| PubChem CID | 5283345 |
|---|---|
| CAS | 3913-81-3 |
| Molecular Weight (g/mol) | 154.25 |
| MDL Number | MFCD00014679 |
| SMILES | CCCCCCC\C=C\C=O |
| Synonym | trans-2-decenal,e-dec-2-enal,2-decenal,decenal,e-2-decenal,3-heptylacrolein,decenaldehyde,decylenic aldehyde,2-decenal, 2e,2-decenal, e |
| IUPAC Name | (2E)-dec-2-enal |
| InChI Key | MMFCJPPRCYDLLZ-CMDGGOBGSA-N |
| Molecular Formula | C10H18O |
trans-2-(4-Bromobenzoyl)-1-cyclohexanecarboxylic acid, 98%, Thermo Scientific™
CAS: 212757-09-0 Molecular Formula: C14H15O3Br Molecular Weight (g/mol): 311.17 MDL Number: MFCD00800528 InChI Key: OVZXXISOLDHARA-VXGBXAGGSA-N Synonym: 1r,2r-2-4-bromobenzoyl cyclohexane-1-carboxylic acid,trans-2-4-bromobenzoyl-1-cyclohexane-carboxylic acid,trans-2-4-bromobenzoyl cyclohexanecarboxylic acid,trans-2-4-bromobenzoyl-1-cyclohexane-carboxylic acid, 98,1r,2r-2-4-bromophenyl carbonyl cyclohexanecarboxylic acid,1r,2r-2-4-bromobenzoyl cyclohexanecarboxylic acid,cyclohexanecarboxylicacid, 2-4-bromobenzoyl-, 1r,2r-rel PubChem CID: 2725095 IUPAC Name: (1R,2R)-2-(4-bromobenzoyl)cyclohexane-1-carboxylic acid SMILES: C1CCC(C(C1)C(=O)C2=CC=C(C=C2)Br)C(=O)O
| PubChem CID | 2725095 |
|---|---|
| CAS | 212757-09-0 |
| Molecular Weight (g/mol) | 311.17 |
| MDL Number | MFCD00800528 |
| SMILES | C1CCC(C(C1)C(=O)C2=CC=C(C=C2)Br)C(=O)O |
| Synonym | 1r,2r-2-4-bromobenzoyl cyclohexane-1-carboxylic acid,trans-2-4-bromobenzoyl-1-cyclohexane-carboxylic acid,trans-2-4-bromobenzoyl cyclohexanecarboxylic acid,trans-2-4-bromobenzoyl-1-cyclohexane-carboxylic acid, 98,1r,2r-2-4-bromophenyl carbonyl cyclohexanecarboxylic acid,1r,2r-2-4-bromobenzoyl cyclohexanecarboxylic acid,cyclohexanecarboxylicacid, 2-4-bromobenzoyl-, 1r,2r-rel |
| IUPAC Name | (1R,2R)-2-(4-bromobenzoyl)cyclohexane-1-carboxylic acid |
| InChI Key | OVZXXISOLDHARA-VXGBXAGGSA-N |
| Molecular Formula | C14H15O3Br |
3-Bromo-2-butanone, 95%, stabilized
CAS: 814-75-5 Molecular Formula: C4H7BrO Molecular Weight (g/mol): 151 MDL Number: MFCD00013538 InChI Key: BNBOUFHCTIFWHN-UHFFFAOYSA-N Synonym: 3-bromo-2-butanone,2-butanone, 3-bromo,2-bromo-3-butanone,3-bromo-butan-2-one,1-bromoethyl methyl ketone,2-bromobutan-2-one,3-bromobutanone,3-bromo-2-butanon,2-bromo-3-oxobutane,3-bromo-butan-2-on PubChem CID: 13142 IUPAC Name: 3-bromobutan-2-one SMILES: CC(C(=O)C)Br
| PubChem CID | 13142 |
|---|---|
| CAS | 814-75-5 |
| Molecular Weight (g/mol) | 151 |
| MDL Number | MFCD00013538 |
| SMILES | CC(C(=O)C)Br |
| Synonym | 3-bromo-2-butanone,2-butanone, 3-bromo,2-bromo-3-butanone,3-bromo-butan-2-one,1-bromoethyl methyl ketone,2-bromobutan-2-one,3-bromobutanone,3-bromo-2-butanon,2-bromo-3-oxobutane,3-bromo-butan-2-on |
| IUPAC Name | 3-bromobutan-2-one |
| InChI Key | BNBOUFHCTIFWHN-UHFFFAOYSA-N |
| Molecular Formula | C4H7BrO |
Bis(2-methoxyethyl) ether, 99+%, Extra Dry, AcroSeal™
CAS: 111-96-6 Molecular Formula: C6H14O3 Molecular Weight (g/mol): 134.18 MDL Number: MFCD00008503 InChI Key: SBZXBUIDTXKZTM-UHFFFAOYSA-N Synonym: diglyme,bis 2-methoxyethyl ether,2-methoxyethyl ether,1-methoxy-2-2-methoxyethoxy ethane,diethylene glycol dimethyl ether,poly-solv,di 2-methoxyethyl ether,dimethyl carbitol,2,5,8-trioxanonane PubChem CID: 8150 ChEBI: CHEBI:46784 IUPAC Name: 1-methoxy-2-(2-methoxyethoxy)ethane SMILES: COCCOCCOC
| PubChem CID | 8150 |
|---|---|
| CAS | 111-96-6 |
| Molecular Weight (g/mol) | 134.18 |
| ChEBI | CHEBI:46784 |
| MDL Number | MFCD00008503 |
| SMILES | COCCOCCOC |
| Synonym | diglyme,bis 2-methoxyethyl ether,2-methoxyethyl ether,1-methoxy-2-2-methoxyethoxy ethane,diethylene glycol dimethyl ether,poly-solv,di 2-methoxyethyl ether,dimethyl carbitol,2,5,8-trioxanonane |
| IUPAC Name | 1-methoxy-2-(2-methoxyethoxy)ethane |
| InChI Key | SBZXBUIDTXKZTM-UHFFFAOYSA-N |
| Molecular Formula | C6H14O3 |
| Viscosity | 20 mPa.s (50°C) |
|---|---|
| Linear Formula | OHC(CH2)3CHO |
| Molecular Weight (g/mol) | 100.12 |
| ChEBI | CHEBI:64276 |
| InChI Key | SXRSQZLOMIGNAQ-UHFFFAOYSA-N |
| Density | 1.1300g/mL |
| PubChem CID | 3485 |
| Name Note | 50 wt% Solution in Water |
| Fieser | 01,411 |
| pH | 3.2 to 4.2 |
| Formula Weight | 100.12 |
| Melting Point | -33.0°C |
| Boiling Point | 101.5°C (740.0 mmHg) |
| Physical Form | Solution |
| Chemical Name or Material | Glutaric dialdehyde |
| SMILES | O=CCCCC=O |
| Merck Index | 15, 4508 |
| CAS | 7732-18-5 |
| Health Hazard 3 | GHS P Statement Wear protective gloves/protective clothing/eye protection/face protection. IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing. IF IN EYES: Rinse cautiously with water for several minu |
| MDL Number | MFCD00007025 |
| Health Hazard 2 | GHS H Statement Toxic if swallowed. Fatal if inhaled. Causes severe skin burns and eye damage. May cause allergy or asthma symptoms or breathing difficulties if inhaled. May cause an allergic skin reaction. Very toxic |
| Solubility Information | Solubility in water: soluble |
| Health Hazard 1 | GHS Signal Word: Danger |
| Synonym | glutaraldehyde,glutaral,glutaric dialdehyde,cidex,glutardialdehyde,1,5-pentanedial,sonacide,glutarol,aldesan,glutaric aldehyde |
| IUPAC Name | pentanedial |
| Beilstein | 01, 776 |
| Molecular Formula | C5H8O2 |
| EINECS Number | 203-856-5 |
| Specific Gravity | 1.13 |
4-Methoxy-3-pyridineboronic acid hydrate, 97%
CAS: 1266615-79-5 Molecular Formula: C6H8BNO3 Molecular Weight (g/mol): 152.94 MDL Number: MFCD07186213 InChI Key: YUTPAZKVEOJQCY-UHFFFAOYSA-N Synonym: 4-methoxy-3-pyridineboronic acid,4-methoxypyridin-3-yl boronic acid,4-methoxypyridine-3-boronic acid,3-borono-4-methoxypyridine,4-methoxy-3-pyridylboronic acid,boronic acid, 4-methoxy-3-pyridinyl,4-methoxy-pyridine-3-boric acid,acmc-209iha,4-methoxy-5-pyridineboronic acid,4-methoxy-pyridin-3-boronic acid PubChem CID: 2762556 IUPAC Name: (4-methoxypyridin-3-yl)boronic acid SMILES: COC1=CC=NC=C1B(O)O
| PubChem CID | 2762556 |
|---|---|
| CAS | 1266615-79-5 |
| Molecular Weight (g/mol) | 152.94 |
| MDL Number | MFCD07186213 |
| SMILES | COC1=CC=NC=C1B(O)O |
| Synonym | 4-methoxy-3-pyridineboronic acid,4-methoxypyridin-3-yl boronic acid,4-methoxypyridine-3-boronic acid,3-borono-4-methoxypyridine,4-methoxy-3-pyridylboronic acid,boronic acid, 4-methoxy-3-pyridinyl,4-methoxy-pyridine-3-boric acid,acmc-209iha,4-methoxy-5-pyridineboronic acid,4-methoxy-pyridin-3-boronic acid |
| IUPAC Name | (4-methoxypyridin-3-yl)boronic acid |
| InChI Key | YUTPAZKVEOJQCY-UHFFFAOYSA-N |
| Molecular Formula | C6H8BNO3 |
Ethyl isobutyrylacetate, 95%
CAS: 7152-15-0 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.2 MDL Number: MFCD00009198 InChI Key: XCLDSQRVMMXWMS-UHFFFAOYSA-N Synonym: ethyl isobutyrylacetate,4-methyl-3-oxo-pentanoic acid ethyl ester,pentanoic acid, 4-methyl-3-oxo-, ethyl ester,ethyl isobutyroylacetate,valeric acid, 4-methyl-3-oxo-, ethyl ester,.gamma.,.gamma.-dimethylacetoacetic acid ethyl ester,beta-keto-gamma-methylvaleric acid ethyl ester,ethyl alpha-isobutyroylacetate,ethylisobutyrylacetate,ethyl iso-butyrylacetate PubChem CID: 81583 IUPAC Name: ethyl 4-methyl-3-oxopentanoate SMILES: CCOC(=O)CC(=O)C(C)C
| PubChem CID | 81583 |
|---|---|
| CAS | 7152-15-0 |
| Molecular Weight (g/mol) | 158.2 |
| MDL Number | MFCD00009198 |
| SMILES | CCOC(=O)CC(=O)C(C)C |
| Synonym | ethyl isobutyrylacetate,4-methyl-3-oxo-pentanoic acid ethyl ester,pentanoic acid, 4-methyl-3-oxo-, ethyl ester,ethyl isobutyroylacetate,valeric acid, 4-methyl-3-oxo-, ethyl ester,.gamma.,.gamma.-dimethylacetoacetic acid ethyl ester,beta-keto-gamma-methylvaleric acid ethyl ester,ethyl alpha-isobutyroylacetate,ethylisobutyrylacetate,ethyl iso-butyrylacetate |
| IUPAC Name | ethyl 4-methyl-3-oxopentanoate |
| InChI Key | XCLDSQRVMMXWMS-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
Benzoylacetonitrile, 98+%
CAS: 614-16-4 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD00001942 InChI Key: ZJRCIQAMTAINCB-UHFFFAOYSA-N Synonym: benzoylacetonitrile,2-cyanoacetophenone,phenacyl cyanide,3-oxo-3-phenyl-propionitrile,cyanomethyl phenyl ketone,acetonitrile, benzoyl,cyanoacetophenone,3-phenyl-3-ketopropionitrile,benzenepropanenitrile, beta-oxo,benzoyl acetonitrile PubChem CID: 64799 ChEBI: CHEBI:51855 IUPAC Name: 3-oxo-3-phenylpropanenitrile SMILES: O=C(CC#N)C1=CC=CC=C1
| PubChem CID | 64799 |
|---|---|
| CAS | 614-16-4 |
| Molecular Weight (g/mol) | 145.16 |
| ChEBI | CHEBI:51855 |
| MDL Number | MFCD00001942 |
| SMILES | O=C(CC#N)C1=CC=CC=C1 |
| Synonym | benzoylacetonitrile,2-cyanoacetophenone,phenacyl cyanide,3-oxo-3-phenyl-propionitrile,cyanomethyl phenyl ketone,acetonitrile, benzoyl,cyanoacetophenone,3-phenyl-3-ketopropionitrile,benzenepropanenitrile, beta-oxo,benzoyl acetonitrile |
| IUPAC Name | 3-oxo-3-phenylpropanenitrile |
| InChI Key | ZJRCIQAMTAINCB-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
5-Chlorosalicylaldehyde, 98%
CAS: 635-93-8 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.57 MDL Number: MFCD00003331 InChI Key: FUGKCSRLAQKUHG-UHFFFAOYSA-N Synonym: 5-chlorosalicylaldehyde,2-hydroxy-5-chlorobenzaldehyde,benzaldehyde, 5-chloro-2-hydroxy,4-chloro-2-formylphenol,salicylaldehyde, 5-chloro,5-chloro-2-hydroxy-benzaldehyde,unii-4gcc8zkm3o,5-chloro-salicylaldehyde,4gcc8zkm3o,5-chloro-2-hydroxy benzaldehyde PubChem CID: 12481 IUPAC Name: 5-chloro-2-hydroxybenzaldehyde SMILES: OC1=CC=C(Cl)C=C1C=O
| PubChem CID | 12481 |
|---|---|
| CAS | 635-93-8 |
| Molecular Weight (g/mol) | 156.57 |
| MDL Number | MFCD00003331 |
| SMILES | OC1=CC=C(Cl)C=C1C=O |
| Synonym | 5-chlorosalicylaldehyde,2-hydroxy-5-chlorobenzaldehyde,benzaldehyde, 5-chloro-2-hydroxy,4-chloro-2-formylphenol,salicylaldehyde, 5-chloro,5-chloro-2-hydroxy-benzaldehyde,unii-4gcc8zkm3o,5-chloro-salicylaldehyde,4gcc8zkm3o,5-chloro-2-hydroxy benzaldehyde |
| IUPAC Name | 5-chloro-2-hydroxybenzaldehyde |
| InChI Key | FUGKCSRLAQKUHG-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClO2 |
3,5-Dimethyl-1-phenylpyrazole-4-carboxaldehyde, 99%, Thermo Scientific™
CAS: 22042-79-1 Molecular Formula: C12H12N2O Molecular Weight (g/mol): 200.24 MDL Number: MFCD00051396 InChI Key: VOMRTQQGXWPTJK-UHFFFAOYSA-N PubChem CID: 89179 IUPAC Name: 3,5-dimethyl-1-phenylpyrazole-4-carbaldehyde SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)C=O
| PubChem CID | 89179 |
|---|---|
| CAS | 22042-79-1 |
| Molecular Weight (g/mol) | 200.24 |
| MDL Number | MFCD00051396 |
| SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C)C=O |
| IUPAC Name | 3,5-dimethyl-1-phenylpyrazole-4-carbaldehyde |
| InChI Key | VOMRTQQGXWPTJK-UHFFFAOYSA-N |
| Molecular Formula | C12H12N2O |
Methoxyethanol, 99.3% min., ACS, MilliporeSigma™
CAS: 109-86-4 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.095 InChI Key: XNWFRZJHXBZDAG-UHFFFAOYSA-N Synonym: methyl cellosolve,ethanol, 2-methoxy,ethylene glycol monomethyl ether,methyl oxitol,2-methoxy-1-ethanol,methoxyethanol,3-oxa-1-butanol,egme,monomethyl glycol,dowanol em PubChem CID: 8019 ChEBI: CHEBI:46790 IUPAC Name: 2-methoxyethanol SMILES: COCCO
| PubChem CID | 8019 |
|---|---|
| CAS | 109-86-4 |
| Molecular Weight (g/mol) | 76.095 |
| ChEBI | CHEBI:46790 |
| SMILES | COCCO |
| Synonym | methyl cellosolve,ethanol, 2-methoxy,ethylene glycol monomethyl ether,methyl oxitol,2-methoxy-1-ethanol,methoxyethanol,3-oxa-1-butanol,egme,monomethyl glycol,dowanol em |
| IUPAC Name | 2-methoxyethanol |
| InChI Key | XNWFRZJHXBZDAG-UHFFFAOYSA-N |
| Molecular Formula | C3H8O2 |