Organooxygen compounds
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1,4-Cyclohexanediol, cis + trans, 98%
CAS: 556-48-9 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00001448,MFCD00063612,MFCD00075462 InChI Key: VKONPUDBRVKQLM-UHFFFAOYSA-N Synonym: 1,4-cyclohexanediol,cis-1,4-cyclohexanediol,trans-1,4-cyclohexanediol,trans-cyclohexane-1,4-diol,quinitol,1,4-cyclohexanediol, trans,cis-cyclohexane-1,4-diol,1,4-cyclohexanediol, cis,trans-1,4-dihydroxycyclohexane,cis-1,4-dihydroxycyclohexane PubChem CID: 11162 IUPAC Name: cyclohexane-1,4-diol SMILES: OC1CCC(O)CC1
| PubChem CID | 11162 |
|---|---|
| CAS | 556-48-9 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00001448,MFCD00063612,MFCD00075462 |
| SMILES | OC1CCC(O)CC1 |
| Synonym | 1,4-cyclohexanediol,cis-1,4-cyclohexanediol,trans-1,4-cyclohexanediol,trans-cyclohexane-1,4-diol,quinitol,1,4-cyclohexanediol, trans,cis-cyclohexane-1,4-diol,1,4-cyclohexanediol, cis,trans-1,4-dihydroxycyclohexane,cis-1,4-dihydroxycyclohexane |
| IUPAC Name | cyclohexane-1,4-diol |
| InChI Key | VKONPUDBRVKQLM-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
(R)-(-)-2,3-O-Isopropylideneglycerol, 96%, Thermo Scientific Chemicals
CAS: 14347-78-5 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.159 MDL Number: MFCD00003213 InChI Key: RNVYQYLELCKWAN-RXMQYKEDSA-N Synonym: r---2,2-dimethyl-1,3-dioxolane-4-methanol,r-2,2-dimethyl-1,3-dioxolan-4-yl methanol,4r-2,2-dimethyl-1,3-dioxolan-4-yl methanol,r-solketal,r---1,2-o-isopropylideneglycerol,r-2,2-dimethyl-1,3-dioxolane-4-methanol,2,3-o-isopropylidene-sn-glycerol,d-acetone glycerol,l---1,2-isopropylideneglycerol,r---2,3-o-isopropylideneglycerol PubChem CID: 736056 IUPAC Name: [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol SMILES: CC1(OCC(O1)CO)C
| PubChem CID | 736056 |
|---|---|
| CAS | 14347-78-5 |
| Molecular Weight (g/mol) | 132.159 |
| MDL Number | MFCD00003213 |
| SMILES | CC1(OCC(O1)CO)C |
| Synonym | r---2,2-dimethyl-1,3-dioxolane-4-methanol,r-2,2-dimethyl-1,3-dioxolan-4-yl methanol,4r-2,2-dimethyl-1,3-dioxolan-4-yl methanol,r-solketal,r---1,2-o-isopropylideneglycerol,r-2,2-dimethyl-1,3-dioxolane-4-methanol,2,3-o-isopropylidene-sn-glycerol,d-acetone glycerol,l---1,2-isopropylideneglycerol,r---2,3-o-isopropylideneglycerol |
| IUPAC Name | [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol |
| InChI Key | RNVYQYLELCKWAN-RXMQYKEDSA-N |
| Molecular Formula | C6H12O3 |
| CAS | 2002-04-2 |
|---|---|
| MDL Number | MFCD00473692 |
2-Trifluoromethyl-2-propanol, 98%
CAS: 507-52-8 Molecular Formula: C4H7F3O Molecular Weight (g/mol): 128.09 MDL Number: MFCD00014391 InChI Key: OCGWWLDZAFOHGD-UHFFFAOYSA-N Synonym: 2-trifluoromethyl-2-propanol,2-trifluoromethylpropanol-2,2-propanol, 1,1,1-trifluoro-2-methyl,2-trifluormethyl-2-propanol,acmc-1aya6,2,2,2-trifluoro-tert-butanol,dimethyl trifluoromethyl methanol,2-trifluoromethyl propan-2-ol,1-methyl-1-trifluoromethyl-ethanol PubChem CID: 68182 IUPAC Name: 1,1,1-trifluoro-2-methylpropan-2-ol SMILES: CC(C)(O)C(F)(F)F
| PubChem CID | 68182 |
|---|---|
| CAS | 507-52-8 |
| Molecular Weight (g/mol) | 128.09 |
| MDL Number | MFCD00014391 |
| SMILES | CC(C)(O)C(F)(F)F |
| Synonym | 2-trifluoromethyl-2-propanol,2-trifluoromethylpropanol-2,2-propanol, 1,1,1-trifluoro-2-methyl,2-trifluormethyl-2-propanol,acmc-1aya6,2,2,2-trifluoro-tert-butanol,dimethyl trifluoromethyl methanol,2-trifluoromethyl propan-2-ol,1-methyl-1-trifluoromethyl-ethanol |
| IUPAC Name | 1,1,1-trifluoro-2-methylpropan-2-ol |
| InChI Key | OCGWWLDZAFOHGD-UHFFFAOYSA-N |
| Molecular Formula | C4H7F3O |
| CAS | 2040-05-3 |
|---|---|
| MDL Number | MFCD00016339 |
4-Chlorobenzoylacetonitrile, 98%
CAS: 4640-66-8 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.603 MDL Number: MFCD00051625 InChI Key: JYOUFPNYTOFCSJ-UHFFFAOYSA-N Synonym: 4-chlorobenzoylacetonitrile,3-4-chlorophenyl-3-oxopropanenitrile,4-chlorophenacylcyanide,p-chlorophenacyl cyanide,4-chlorobenzoyl acetonitrile,3-4-chloro-phenyl-3-oxo-propionitrile,4-chlorobenzoylacetonitirle,zlchem 1256,pubchem12045,acmc-1akag PubChem CID: 138308 IUPAC Name: 3-(4-chlorophenyl)-3-oxopropanenitrile SMILES: C1=CC(=CC=C1C(=O)CC#N)Cl
| PubChem CID | 138308 |
|---|---|
| CAS | 4640-66-8 |
| Molecular Weight (g/mol) | 179.603 |
| MDL Number | MFCD00051625 |
| SMILES | C1=CC(=CC=C1C(=O)CC#N)Cl |
| Synonym | 4-chlorobenzoylacetonitrile,3-4-chlorophenyl-3-oxopropanenitrile,4-chlorophenacylcyanide,p-chlorophenacyl cyanide,4-chlorobenzoyl acetonitrile,3-4-chloro-phenyl-3-oxo-propionitrile,4-chlorobenzoylacetonitirle,zlchem 1256,pubchem12045,acmc-1akag |
| IUPAC Name | 3-(4-chlorophenyl)-3-oxopropanenitrile |
| InChI Key | JYOUFPNYTOFCSJ-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClNO |
1,2-Propanediol, MilliporeSigma™
CAS: 57-55-6 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.095 InChI Key: DNIAPMSPPWPWGF-UHFFFAOYSA-N Synonym: 1,2-propanediol,propylene glycol,1,2-dihydroxypropane,2-hydroxypropanol,1,2-propylene glycol,methylethyl glycol,methylethylene glycol,monopropylene glycol,isopropylene glycol,dowfrost PubChem CID: 1030 ChEBI: CHEBI:16997 IUPAC Name: propane-1,2-diol SMILES: CC(CO)O
| PubChem CID | 1030 |
|---|---|
| CAS | 57-55-6 |
| Molecular Weight (g/mol) | 76.095 |
| ChEBI | CHEBI:16997 |
| SMILES | CC(CO)O |
| Synonym | 1,2-propanediol,propylene glycol,1,2-dihydroxypropane,2-hydroxypropanol,1,2-propylene glycol,methylethyl glycol,methylethylene glycol,monopropylene glycol,isopropylene glycol,dowfrost |
| IUPAC Name | propane-1,2-diol |
| InChI Key | DNIAPMSPPWPWGF-UHFFFAOYSA-N |
| Molecular Formula | C3H8O2 |
Ethyl 4-hydroxycyclohexanecarboxylate, cis + trans, 97%
CAS: 17159-80-7 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.22 MDL Number: MFCD00192156,MFCD16295187 InChI Key: BZKQJSLASWRDNE-UHFFFAOYSA-N Synonym: ethyl 4-hydroxycyclohexanecarboxylate,trans-ethyl 4-hydroxycyclohexanecarboxylate,ethyl trans-4-hydroxycyclohexanecarboxylate,4-hydroxy-cyclohexanecarboxylic acid ethyl ester,ethyl 4-hydroxycyclohexane carboxylate,cis-ethyl 4-hydroxycyclohexanecarboxylate,cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester,4-hydroxycyclohexanecarboxylic acid ethyl ester,trans-4-hydroxycyclohexanecarboxylic acid ethyl ester,cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester, cis PubChem CID: 86973 IUPAC Name: ethyl 4-hydroxycyclohexane-1-carboxylate SMILES: CCOC(=O)C1CCC(O)CC1
| PubChem CID | 86973 |
|---|---|
| CAS | 17159-80-7 |
| Molecular Weight (g/mol) | 172.22 |
| MDL Number | MFCD00192156,MFCD16295187 |
| SMILES | CCOC(=O)C1CCC(O)CC1 |
| Synonym | ethyl 4-hydroxycyclohexanecarboxylate,trans-ethyl 4-hydroxycyclohexanecarboxylate,ethyl trans-4-hydroxycyclohexanecarboxylate,4-hydroxy-cyclohexanecarboxylic acid ethyl ester,ethyl 4-hydroxycyclohexane carboxylate,cis-ethyl 4-hydroxycyclohexanecarboxylate,cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester,4-hydroxycyclohexanecarboxylic acid ethyl ester,trans-4-hydroxycyclohexanecarboxylic acid ethyl ester,cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester, cis |
| IUPAC Name | ethyl 4-hydroxycyclohexane-1-carboxylate |
| InChI Key | BZKQJSLASWRDNE-UHFFFAOYSA-N |
| Molecular Formula | C9H16O3 |
3',5'-Dichloro-2'-hydroxyacetophenone, 99%
CAS: 3321-92-4 Molecular Formula: C8H6Cl2O2 Molecular Weight (g/mol): 205.034 MDL Number: MFCD00016417 InChI Key: CJFYGRLJDKWMDI-UHFFFAOYSA-N Synonym: 1-3,5-dichloro-2-hydroxyphenyl ethanone,3',5'-dichloro-2'-hydroxyacetophenone,3,5-dichloro-2-hydroxyacetophenone,1-3,5-dichloro-2-hydroxyphenyl ethan-1-one,2-acetyl-4,6-dichlorophenol,2'-hydroxy-3',5'-dichloroacetophenone,ethanone, 1-3,5-dichloro-2-hydroxyphenyl,1-acetyl-3,5-dichloro-2-hydroxybenzene,acmc-1cq4k,4,6-dichloro-2-acetylphenol PubChem CID: 520608 IUPAC Name: 1-(3,5-dichloro-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC(=C1O)Cl)Cl
| PubChem CID | 520608 |
|---|---|
| CAS | 3321-92-4 |
| Molecular Weight (g/mol) | 205.034 |
| MDL Number | MFCD00016417 |
| SMILES | CC(=O)C1=CC(=CC(=C1O)Cl)Cl |
| Synonym | 1-3,5-dichloro-2-hydroxyphenyl ethanone,3',5'-dichloro-2'-hydroxyacetophenone,3,5-dichloro-2-hydroxyacetophenone,1-3,5-dichloro-2-hydroxyphenyl ethan-1-one,2-acetyl-4,6-dichlorophenol,2'-hydroxy-3',5'-dichloroacetophenone,ethanone, 1-3,5-dichloro-2-hydroxyphenyl,1-acetyl-3,5-dichloro-2-hydroxybenzene,acmc-1cq4k,4,6-dichloro-2-acetylphenol |
| IUPAC Name | 1-(3,5-dichloro-2-hydroxyphenyl)ethanone |
| InChI Key | CJFYGRLJDKWMDI-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O2 |
Bis(2-cyanoethyl) ether, 98%
CAS: 1656-48-0 Molecular Formula: C6H8N2O Molecular Weight (g/mol): 124.143 MDL Number: MFCD00001960 InChI Key: BCGCCTGNWPKXJL-UHFFFAOYSA-N Synonym: bis 2-cyanoethyl ether,2-cyanoethyl ether,3,3'-oxydipropionitrile,propanenitrile, 3,3'-oxybis,ether, bis 2-cyanoethyl,2,2'-dicyanodiethyl ether,propionitrile, 3,3'-oxydi,3-2-cyanoethoxy propanenitrile,beta,beta'-dicyanodiethyl ether,unii-uf1uoo2pho PubChem CID: 15452 IUPAC Name: 3-(2-cyanoethoxy)propanenitrile SMILES: C(COCCC#N)C#N
| PubChem CID | 15452 |
|---|---|
| CAS | 1656-48-0 |
| Molecular Weight (g/mol) | 124.143 |
| MDL Number | MFCD00001960 |
| SMILES | C(COCCC#N)C#N |
| Synonym | bis 2-cyanoethyl ether,2-cyanoethyl ether,3,3'-oxydipropionitrile,propanenitrile, 3,3'-oxybis,ether, bis 2-cyanoethyl,2,2'-dicyanodiethyl ether,propionitrile, 3,3'-oxydi,3-2-cyanoethoxy propanenitrile,beta,beta'-dicyanodiethyl ether,unii-uf1uoo2pho |
| IUPAC Name | 3-(2-cyanoethoxy)propanenitrile |
| InChI Key | BCGCCTGNWPKXJL-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O |
3-Chloro-6-methoxypyridazine, 97%
CAS: 1722-10-7 Molecular Formula: C5H5ClN2O Molecular Weight (g/mol): 144.56 MDL Number: MFCD00006467 InChI Key: XBJLKXOOHLLTPG-UHFFFAOYSA-N PubChem CID: 74403 IUPAC Name: 3-chloro-6-methoxypyridazine SMILES: COC1=CC=C(Cl)N=N1
| PubChem CID | 74403 |
|---|---|
| CAS | 1722-10-7 |
| Molecular Weight (g/mol) | 144.56 |
| MDL Number | MFCD00006467 |
| SMILES | COC1=CC=C(Cl)N=N1 |
| IUPAC Name | 3-chloro-6-methoxypyridazine |
| InChI Key | XBJLKXOOHLLTPG-UHFFFAOYSA-N |
| Molecular Formula | C5H5ClN2O |
2-Bromo-1-(4-morpholinophenyl)-1-ethanone, 97%, Thermo Scientific™
CAS: 210832-85-2 Molecular Formula: C12H14BrNO2 Molecular Weight (g/mol): 284.15 MDL Number: MFCD03783555 InChI Key: OUGMZFJPRSTGMJ-UHFFFAOYSA-N Synonym: 2-bromo-1-4-morpholinophenyl-1-ethanone,2-bromo-1-4-morpholinophenyl ethanone,2-bromo-1-4-morpholin-4-ylphenyl ethanone,2-bromo-1-4-4-morpholinyl phenyl ethanone,2-bromo-1-4-morpholin-4-yl-phenyl ethanone,2-bromo-1-4-morpholin-4-yl phenyl ethanone,2-bromo-1-4-morpholin-4-ylphenyl ethan-1-one,pubchem23338,acmc-1cqxm,alpha-bromo-4'-morpholinoacetophenone PubChem CID: 2795357 SMILES: BrCC(=O)C1=CC=C(C=C1)N1CCOCC1
| PubChem CID | 2795357 |
|---|---|
| CAS | 210832-85-2 |
| Molecular Weight (g/mol) | 284.15 |
| MDL Number | MFCD03783555 |
| SMILES | BrCC(=O)C1=CC=C(C=C1)N1CCOCC1 |
| Synonym | 2-bromo-1-4-morpholinophenyl-1-ethanone,2-bromo-1-4-morpholinophenyl ethanone,2-bromo-1-4-morpholin-4-ylphenyl ethanone,2-bromo-1-4-4-morpholinyl phenyl ethanone,2-bromo-1-4-morpholin-4-yl-phenyl ethanone,2-bromo-1-4-morpholin-4-yl phenyl ethanone,2-bromo-1-4-morpholin-4-ylphenyl ethan-1-one,pubchem23338,acmc-1cqxm,alpha-bromo-4'-morpholinoacetophenone |
| InChI Key | OUGMZFJPRSTGMJ-UHFFFAOYSA-N |
| Molecular Formula | C12H14BrNO2 |
6-Bromopyridine-2-carboxaldehyde, 97%
CAS: 34160-40-2 Molecular Formula: C6H4BrNO Molecular Weight (g/mol): 186.008 MDL Number: MFCD02683546 InChI Key: QWFHFNGMCPMOCD-UHFFFAOYSA-N Synonym: 6-bromo-2-pyridinecarboxaldehyde,6-bromopicolinaldehyde,6-bromo-2-formylpyridine,6-bromopyridine-2-carboxaldehyde,2-bromo-6-formylpyridine,6-bromo-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 6-bromo,2-bromopyridine-6-carboxaldehyde,6-bromo-2-pyridine carboxaldehyde,6-bromopicolylaldehyde PubChem CID: 2757009 IUPAC Name: 6-bromopyridine-2-carbaldehyde SMILES: C1=CC(=NC(=C1)Br)C=O
| PubChem CID | 2757009 |
|---|---|
| CAS | 34160-40-2 |
| Molecular Weight (g/mol) | 186.008 |
| MDL Number | MFCD02683546 |
| SMILES | C1=CC(=NC(=C1)Br)C=O |
| Synonym | 6-bromo-2-pyridinecarboxaldehyde,6-bromopicolinaldehyde,6-bromo-2-formylpyridine,6-bromopyridine-2-carboxaldehyde,2-bromo-6-formylpyridine,6-bromo-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 6-bromo,2-bromopyridine-6-carboxaldehyde,6-bromo-2-pyridine carboxaldehyde,6-bromopicolylaldehyde |
| IUPAC Name | 6-bromopyridine-2-carbaldehyde |
| InChI Key | QWFHFNGMCPMOCD-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrNO |
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 |
2,5-Dimethyl-2,5-hexanediol, 97%
CAS: 110-03-2 Molecular Formula: C8H18O2 Molecular Weight (g/mol): 146.23 MDL Number: MFCD00004473 InChI Key: ZWNMRZQYWRLGMM-UHFFFAOYSA-N Synonym: 2,5-dimethyl-2,5-hexanediol,2,5-hexanediol, 2,5-dimethyl,unii-3pnb2s8721,1,1,4,4-tetramethyl-1,4-butanediol,2,5-dihydroxy-2,5-dimethylhexane,2,5-dimethyl-hexane-2,5-diol,dimethylhexanediol,dsstox_cid_6830,dsstox_rid_78222,dsstox_gsid_26830 PubChem CID: 8031 IUPAC Name: 2,5-dimethylhexane-2,5-diol SMILES: CC(C)(O)CCC(C)(C)O
| PubChem CID | 8031 |
|---|---|
| CAS | 110-03-2 |
| Molecular Weight (g/mol) | 146.23 |
| MDL Number | MFCD00004473 |
| SMILES | CC(C)(O)CCC(C)(C)O |
| Synonym | 2,5-dimethyl-2,5-hexanediol,2,5-hexanediol, 2,5-dimethyl,unii-3pnb2s8721,1,1,4,4-tetramethyl-1,4-butanediol,2,5-dihydroxy-2,5-dimethylhexane,2,5-dimethyl-hexane-2,5-diol,dimethylhexanediol,dsstox_cid_6830,dsstox_rid_78222,dsstox_gsid_26830 |
| IUPAC Name | 2,5-dimethylhexane-2,5-diol |
| InChI Key | ZWNMRZQYWRLGMM-UHFFFAOYSA-N |
| Molecular Formula | C8H18O2 |