Organooxygen compounds
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7-Bromo-3,4-dihydro-1,5-benzodioxepin, 96%
CAS: 147644-11-9 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00508291 InChI Key: AZCHNKNSOZJHSH-UHFFFAOYSA-N PubChem CID: 2776394 IUPAC Name: 7-bromo-3,4-dihydro-2H-1,5-benzodioxepine SMILES: C1COC2=C(C=C(C=C2)Br)OC1
| PubChem CID | 2776394 |
|---|---|
| CAS | 147644-11-9 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD00508291 |
| SMILES | C1COC2=C(C=C(C=C2)Br)OC1 |
| IUPAC Name | 7-bromo-3,4-dihydro-2H-1,5-benzodioxepine |
| InChI Key | AZCHNKNSOZJHSH-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
4,4'-Dichlorobutyrophenone, 97%
CAS: 40877-09-6 Molecular Formula: C10H10Cl2O Molecular Weight (g/mol): 217.089 MDL Number: MFCD00018993 InChI Key: UKCHLVFIVJBCKE-UHFFFAOYSA-N Synonym: 4-chloro-1-4-chlorophenyl butan-1-one,4,4'-dichlorobutyrophenone,1-butanone, 4-chloro-1-4-chlorophenyl,gamma,p-dichlorobutyrophenone,4-chloro-1-4-chlorophenyl-1-oxobutane,4-chloro-1-4-chlorophenyl-1-butanone,acmc-20a5su,4',gamma-dichlorobutyrophenone,4-chloro-4'-chlorobutyrophenone,4-chloro-4'-chloro-butyrophenone PubChem CID: 2723781 IUPAC Name: 4-chloro-1-(4-chlorophenyl)butan-1-one SMILES: C1=CC(=CC=C1C(=O)CCCCl)Cl
| PubChem CID | 2723781 |
|---|---|
| CAS | 40877-09-6 |
| Molecular Weight (g/mol) | 217.089 |
| MDL Number | MFCD00018993 |
| SMILES | C1=CC(=CC=C1C(=O)CCCCl)Cl |
| Synonym | 4-chloro-1-4-chlorophenyl butan-1-one,4,4'-dichlorobutyrophenone,1-butanone, 4-chloro-1-4-chlorophenyl,gamma,p-dichlorobutyrophenone,4-chloro-1-4-chlorophenyl-1-oxobutane,4-chloro-1-4-chlorophenyl-1-butanone,acmc-20a5su,4',gamma-dichlorobutyrophenone,4-chloro-4'-chlorobutyrophenone,4-chloro-4'-chloro-butyrophenone |
| IUPAC Name | 4-chloro-1-(4-chlorophenyl)butan-1-one |
| InChI Key | UKCHLVFIVJBCKE-UHFFFAOYSA-N |
| Molecular Formula | C10H10Cl2O |
(S)-(+)-2,3-O-Isopropylideneglycerol, 98%
CAS: 22323-82-6 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00063239 InChI Key: RNVYQYLELCKWAN-UHFFFAOYNA-N Synonym: s-+-2,2-dimethyl-1,3-dioxolane-4-methanol,s-glycerol acetonide,s-+-1,2-isopropylideneglycerol,4s-2,2-dimethyl-1,3-dioxolan-4-yl methanol,s-2,2-dimethyl-1,3-dioxolane-4-methanol,s-solketal,1,2-isopropylidene-sn-glycerol,s-+-2,3-o-isopropylideneglycerol,1,3-dioxolane-4-methanol, 2,2-dimethyl-, 4s,s-2,2-dimethyl-1,3-dioxolan-4-yl methanol PubChem CID: 736057 IUPAC Name: [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol SMILES: CC1(C)OCC(CO)O1
| PubChem CID | 736057 |
|---|---|
| CAS | 22323-82-6 |
| Molecular Weight (g/mol) | 132.16 |
| MDL Number | MFCD00063239 |
| SMILES | CC1(C)OCC(CO)O1 |
| Synonym | s-+-2,2-dimethyl-1,3-dioxolane-4-methanol,s-glycerol acetonide,s-+-1,2-isopropylideneglycerol,4s-2,2-dimethyl-1,3-dioxolan-4-yl methanol,s-2,2-dimethyl-1,3-dioxolane-4-methanol,s-solketal,1,2-isopropylidene-sn-glycerol,s-+-2,3-o-isopropylideneglycerol,1,3-dioxolane-4-methanol, 2,2-dimethyl-, 4s,s-2,2-dimethyl-1,3-dioxolan-4-yl methanol |
| IUPAC Name | [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol |
| InChI Key | RNVYQYLELCKWAN-UHFFFAOYNA-N |
| Molecular Formula | C6H12O3 |
1,1,3-Trimethoxypropane, 97%
CAS: 14315-97-0 Molecular Formula: C6H14O3 Molecular Weight (g/mol): 134.18 MDL Number: MFCD00008490 InChI Key: FKZYYYDRLJCHGL-UHFFFAOYSA-N Synonym: propane, 1,1,3-trimethoxy,propane,1,1,3-trimethoxy,acmc-1brb6,1,1,3-trimethoxy-propane,1,1,3-trimethoxypropane,beta-methoxypropionaldehyde dimethyl acetal PubChem CID: 84348 IUPAC Name: 1,1,3-trimethoxypropane SMILES: COCCC(OC)OC
| PubChem CID | 84348 |
|---|---|
| CAS | 14315-97-0 |
| Molecular Weight (g/mol) | 134.18 |
| MDL Number | MFCD00008490 |
| SMILES | COCCC(OC)OC |
| Synonym | propane, 1,1,3-trimethoxy,propane,1,1,3-trimethoxy,acmc-1brb6,1,1,3-trimethoxy-propane,1,1,3-trimethoxypropane,beta-methoxypropionaldehyde dimethyl acetal |
| IUPAC Name | 1,1,3-trimethoxypropane |
| InChI Key | FKZYYYDRLJCHGL-UHFFFAOYSA-N |
| Molecular Formula | C6H14O3 |
4-Benzyloxy-5-bromo-2-chloropyrimidine, 97%, Thermo Scientific™
CAS: 205672-19-1 Molecular Formula: C11H8BrClN2O Molecular Weight (g/mol): 299.552 MDL Number: MFCD06798237 InChI Key: PFOACTPILUWRCT-UHFFFAOYSA-N Synonym: 4-benzyloxy-5-bromo-2-chloropyrimidine,5-bromo-2-chloro-4-phenylmethoxy pyrimidine,pyrimidine, 5-bromo-2-chloro-4-phenylmethoxy,pubchem6890,acmc-20aig5,4-benzyloxy-5-bromo-2-chloro-pyrimidine,2-chloro-4-benzyloxy-5-bromopyrimidine,5-bromanyl-2-chloranyl-4-phenylmethoxy-pyrimidine PubChem CID: 10732937 IUPAC Name: 5-bromo-2-chloro-4-phenylmethoxypyrimidine SMILES: C1=CC=C(C=C1)COC2=NC(=NC=C2Br)Cl
| PubChem CID | 10732937 |
|---|---|
| CAS | 205672-19-1 |
| Molecular Weight (g/mol) | 299.552 |
| MDL Number | MFCD06798237 |
| SMILES | C1=CC=C(C=C1)COC2=NC(=NC=C2Br)Cl |
| Synonym | 4-benzyloxy-5-bromo-2-chloropyrimidine,5-bromo-2-chloro-4-phenylmethoxy pyrimidine,pyrimidine, 5-bromo-2-chloro-4-phenylmethoxy,pubchem6890,acmc-20aig5,4-benzyloxy-5-bromo-2-chloro-pyrimidine,2-chloro-4-benzyloxy-5-bromopyrimidine,5-bromanyl-2-chloranyl-4-phenylmethoxy-pyrimidine |
| IUPAC Name | 5-bromo-2-chloro-4-phenylmethoxypyrimidine |
| InChI Key | PFOACTPILUWRCT-UHFFFAOYSA-N |
| Molecular Formula | C11H8BrClN2O |
4-Hexen-3-one, 98%, trans-isomer >95%
CAS: 2497-21-4 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.15 MDL Number: MFCD00010631 InChI Key: FEWIGMWODIRUJM-HYXAFXHYSA-N Synonym: 4-hexen-3-one,2-hexen-4-one,2-hexene-4-one,e-hex-4-en-3-one,4-hexene-3-one,fema no. 3352,e-4-hexen-3-one,4-hexen-3-one, predominantly trans,e-ch3ch=chc =o c2h5,trans-4-hexen-3-one PubChem CID: 5365811 IUPAC Name: (4Z)-hex-4-en-3-one SMILES: CCC(=O)\C=C/C
| PubChem CID | 5365811 |
|---|---|
| CAS | 2497-21-4 |
| Molecular Weight (g/mol) | 98.15 |
| MDL Number | MFCD00010631 |
| SMILES | CCC(=O)\C=C/C |
| Synonym | 4-hexen-3-one,2-hexen-4-one,2-hexene-4-one,e-hex-4-en-3-one,4-hexene-3-one,fema no. 3352,e-4-hexen-3-one,4-hexen-3-one, predominantly trans,e-ch3ch=chc =o c2h5,trans-4-hexen-3-one |
| IUPAC Name | (4Z)-hex-4-en-3-one |
| InChI Key | FEWIGMWODIRUJM-HYXAFXHYSA-N |
| Molecular Formula | C6H10O |
3,4-Dihydro-2H-1,5-benzodioxepin-7-carboxylic acid, 98%
CAS: 33632-74-5 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00276310 InChI Key: BYYFEADAQZCIGM-UHFFFAOYSA-N Synonym: 3,4-dihydro-2h-benzo b 1,4 dioxepine-2-carboxylic acid,2h-1,5-benzodioxepin-2-carboxylicacid, 3,4-dihydro,3,4-dihydro-2h-1,5-benzodioxepine-2-carboxylic acid,2h-1,5-benzodioxepin-2-carboxylic acid, 3,4-dihydro,3,4-dihydro-2h-1,5-benzodioxepin-7-carboxylicacid PubChem CID: 53708627 IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepine-4-carboxylic acid SMILES: C1COC2=CC=CC=C2OC1C(=O)O
| PubChem CID | 53708627 |
|---|---|
| CAS | 33632-74-5 |
| Molecular Weight (g/mol) | 194.186 |
| MDL Number | MFCD00276310 |
| SMILES | C1COC2=CC=CC=C2OC1C(=O)O |
| Synonym | 3,4-dihydro-2h-benzo b 1,4 dioxepine-2-carboxylic acid,2h-1,5-benzodioxepin-2-carboxylicacid, 3,4-dihydro,3,4-dihydro-2h-1,5-benzodioxepine-2-carboxylic acid,2h-1,5-benzodioxepin-2-carboxylic acid, 3,4-dihydro,3,4-dihydro-2h-1,5-benzodioxepin-7-carboxylicacid |
| IUPAC Name | 3,4-dihydro-2H-1,5-benzodioxepine-4-carboxylic acid |
| InChI Key | BYYFEADAQZCIGM-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |
2-Phenyl-1,3-propanediol, 98%
CAS: 1570-95-2 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.193 MDL Number: MFCD00236056 InChI Key: BPBDZXFJDMJLIB-UHFFFAOYSA-N Synonym: 2-phenyl-1,3-propanediol,2-phenyl-1,3-propanediole,2-phenyl-propane-1,3-diol,2-phenyl-1,3-propane diol,unii-9f93674jbb,1,3-propanediol, 2-phenyl,phenylpropanediol,pubchem20386,rarechem al bd 1370,acmc-1bz5a PubChem CID: 254178 IUPAC Name: 2-phenylpropane-1,3-diol SMILES: C1=CC=C(C=C1)C(CO)CO
| PubChem CID | 254178 |
|---|---|
| CAS | 1570-95-2 |
| Molecular Weight (g/mol) | 152.193 |
| MDL Number | MFCD00236056 |
| SMILES | C1=CC=C(C=C1)C(CO)CO |
| Synonym | 2-phenyl-1,3-propanediol,2-phenyl-1,3-propanediole,2-phenyl-propane-1,3-diol,2-phenyl-1,3-propane diol,unii-9f93674jbb,1,3-propanediol, 2-phenyl,phenylpropanediol,pubchem20386,rarechem al bd 1370,acmc-1bz5a |
| IUPAC Name | 2-phenylpropane-1,3-diol |
| InChI Key | BPBDZXFJDMJLIB-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
3,4-Dihydro-2H-1,5-benzodioxepine-7-carbaldehyde, 95+%, Thermo Scientific™
CAS: 67869-90-3 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 InChI Key: LCSVYSVGXQQHSI-UHFFFAOYSA-N PubChem CID: 2776388 IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde SMILES: C1COC2=C(C=C(C=C2)C=O)OC1
| PubChem CID | 2776388 |
|---|---|
| CAS | 67869-90-3 |
| Molecular Weight (g/mol) | 178.187 |
| SMILES | C1COC2=C(C=C(C=C2)C=O)OC1 |
| IUPAC Name | 3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde |
| InChI Key | LCSVYSVGXQQHSI-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
6-Phenoxynicotinaldehyde, 97%, Thermo Scientific™
CAS: 173282-69-4 Molecular Formula: C12H9NO2 Molecular Weight (g/mol): 199.209 MDL Number: MFCD02681950 InChI Key: SOPOQXNWJNVZMI-UHFFFAOYSA-N PubChem CID: 2776500 IUPAC Name: 6-phenoxypyridine-3-carbaldehyde SMILES: C1=CC=C(C=C1)OC2=NC=C(C=C2)C=O
| PubChem CID | 2776500 |
|---|---|
| CAS | 173282-69-4 |
| Molecular Weight (g/mol) | 199.209 |
| MDL Number | MFCD02681950 |
| SMILES | C1=CC=C(C=C1)OC2=NC=C(C=C2)C=O |
| IUPAC Name | 6-phenoxypyridine-3-carbaldehyde |
| InChI Key | SOPOQXNWJNVZMI-UHFFFAOYSA-N |
| Molecular Formula | C12H9NO2 |
2-Chloro-4,6-dimethoxy-1,3,5-triazine, 98%
CAS: 3140-73-6 Molecular Formula: C5H6ClN3O2 Molecular Weight (g/mol): 175.57 MDL Number: MFCD00075607 InChI Key: GPIQOFWTZXXOOV-UHFFFAOYSA-N Synonym: cdmt,1,3,5-triazine, 2-chloro-4,6-dimethoxy,2-chloro-4,6-dimethoxy-s-triazine,2-chloro-4,6-dimethoxy-1,3,5 triazine,pubchem20734,acmc-1cnh7,ksc567a8j,2-chloro-4,6-dimethoxy s-triazine,1,5-triazine, 2-chloro-4,6-dimethoxy PubChem CID: 18450 IUPAC Name: 2-chloro-4,6-dimethoxy-1,3,5-triazine SMILES: COC1=NC(OC)=NC(Cl)=N1
| PubChem CID | 18450 |
|---|---|
| CAS | 3140-73-6 |
| Molecular Weight (g/mol) | 175.57 |
| MDL Number | MFCD00075607 |
| SMILES | COC1=NC(OC)=NC(Cl)=N1 |
| Synonym | cdmt,1,3,5-triazine, 2-chloro-4,6-dimethoxy,2-chloro-4,6-dimethoxy-s-triazine,2-chloro-4,6-dimethoxy-1,3,5 triazine,pubchem20734,acmc-1cnh7,ksc567a8j,2-chloro-4,6-dimethoxy s-triazine,1,5-triazine, 2-chloro-4,6-dimethoxy |
| IUPAC Name | 2-chloro-4,6-dimethoxy-1,3,5-triazine |
| InChI Key | GPIQOFWTZXXOOV-UHFFFAOYSA-N |
| Molecular Formula | C5H6ClN3O2 |
Spectrum Chemical Manufacturing Corporation Polyoxyl 40 Stearate, Type II, NF, Spectrum™ Chemical
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CAS: 9004-99-3 Molecular Formula: C20H40O3 Molecular Weight (g/mol): 328.54 InChI Key: RFVNOJDQRGSOEL-UHFFFAOYSA-N IUPAC Name: 2-hydroxyethyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCO
| CAS | 9004-99-3 |
|---|---|
| Molecular Weight (g/mol) | 328.54 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCO |
| IUPAC Name | 2-hydroxyethyl octadecanoate |
| InChI Key | RFVNOJDQRGSOEL-UHFFFAOYSA-N |
| Molecular Formula | C20H40O3 |
2-Bromo-4'-(1-pyrrolidinyl)acetophenone, 97%
CAS: 216144-18-2 Molecular Formula: C12H14BrNO Molecular Weight (g/mol): 268.154 MDL Number: MFCD01075690 InChI Key: WLRIUCQUMKJOGT-UHFFFAOYSA-N Synonym: 2-bromo-1-4-pyrrolidin-1-yl phenyl ethanone,alpha-bromo-4-1-pyrrolidino acetophenone,2-bromo-1-4-pyrrolidin-1-ylphenyl ethanone,2-bromo-1-4-1-pyrrolidinyl phenyl ethanone,ethanone, 2-bromo-1-4-1-pyrrolidinyl phenyl,2-bromo-1-4-pyrrolidin-1-yl phenyl ethan-1-one,2-bromo-1-4-pyrrolidin-1-ylphenyl ethan-1-one, 4-pyrrolidin-1-yl phenacyl bromide,2-bromo-1-4-pyrrolidinylphenyl ethan-1-one,acmc-209fm8 PubChem CID: 3681785 IUPAC Name: 2-bromo-1-(4-pyrrolidin-1-ylphenyl)ethanone SMILES: C1CCN(C1)C2=CC=C(C=C2)C(=O)CBr
| PubChem CID | 3681785 |
|---|---|
| CAS | 216144-18-2 |
| Molecular Weight (g/mol) | 268.154 |
| MDL Number | MFCD01075690 |
| SMILES | C1CCN(C1)C2=CC=C(C=C2)C(=O)CBr |
| Synonym | 2-bromo-1-4-pyrrolidin-1-yl phenyl ethanone,alpha-bromo-4-1-pyrrolidino acetophenone,2-bromo-1-4-pyrrolidin-1-ylphenyl ethanone,2-bromo-1-4-1-pyrrolidinyl phenyl ethanone,ethanone, 2-bromo-1-4-1-pyrrolidinyl phenyl,2-bromo-1-4-pyrrolidin-1-yl phenyl ethan-1-one,2-bromo-1-4-pyrrolidin-1-ylphenyl ethan-1-one, 4-pyrrolidin-1-yl phenacyl bromide,2-bromo-1-4-pyrrolidinylphenyl ethan-1-one,acmc-209fm8 |
| IUPAC Name | 2-bromo-1-(4-pyrrolidin-1-ylphenyl)ethanone |
| InChI Key | WLRIUCQUMKJOGT-UHFFFAOYSA-N |
| Molecular Formula | C12H14BrNO |
2-(2-Methoxyethoxy)ethanol, 98%, Spectrum™ Chemical
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CAS: 111-77-3 Molecular Formula: C5H12O3 Molecular Weight (g/mol): 120.15 InChI Key: SBASXUCJHJRPEV-UHFFFAOYSA-N IUPAC Name: 2-(2-methoxyethoxy)ethan-1-ol SMILES: COCCOCCO
| CAS | 111-77-3 |
|---|---|
| Molecular Weight (g/mol) | 120.15 |
| SMILES | COCCOCCO |
| IUPAC Name | 2-(2-methoxyethoxy)ethan-1-ol |
| InChI Key | SBASXUCJHJRPEV-UHFFFAOYSA-N |
| Molecular Formula | C5H12O3 |
2-Benzyloxybenzaldehyde, 98%
CAS: 5896-17-3 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00016583 InChI Key: PBEJTRAJWCNHRS-UHFFFAOYSA-N Synonym: 2-benzyloxy benzaldehyde,2-benzyloxybenzaldehyde,benzaldehyde, 2-phenylmethoxy,o-benzyloxy benzaldehyde,benzaldehyde, o-benzyloxy,o-benzylsalicylaldehyde,2-benzyl-oxy benzaldehyde,2-phenylmethoxy benzaldehyde,benzyloxybenzaldehyde,o-benzyloxybenzaldehyde PubChem CID: 344784 IUPAC Name: 2-phenylmethoxybenzaldehyde SMILES: O=CC1=CC=CC=C1OCC1=CC=CC=C1
| PubChem CID | 344784 |
|---|---|
| CAS | 5896-17-3 |
| Molecular Weight (g/mol) | 212.25 |
| MDL Number | MFCD00016583 |
| SMILES | O=CC1=CC=CC=C1OCC1=CC=CC=C1 |
| Synonym | 2-benzyloxy benzaldehyde,2-benzyloxybenzaldehyde,benzaldehyde, 2-phenylmethoxy,o-benzyloxy benzaldehyde,benzaldehyde, o-benzyloxy,o-benzylsalicylaldehyde,2-benzyl-oxy benzaldehyde,2-phenylmethoxy benzaldehyde,benzyloxybenzaldehyde,o-benzyloxybenzaldehyde |
| IUPAC Name | 2-phenylmethoxybenzaldehyde |
| InChI Key | PBEJTRAJWCNHRS-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |