Organooxygen compounds
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1,1,1,3,3,3-Hexafluoro-2-methyl-2-propanol, 98%
CAS: 1515-14-6 Molecular Formula: C4H4F6O Molecular Weight (g/mol): 182.07 MDL Number: MFCD00039259 InChI Key: FQDXJYBXPOMIBX-UHFFFAOYSA-N Synonym: hexafluoro-2-methylisopropanol,1,1,1,3,3,3-hexafluoro-2-methyl-2-propanol,2-propanol, 1,1,1,3,3,3-hexafluoro-2-methyl,hexafluoro-tert-butanol,cf3 2mecoh,1,1,1,3,3,3-hexafluoro-2-methylisopropanol,methylbistrifluoromethylmethanol,cf3 2c oh ch3,fqdxjybxpomibx-uhfffaoysa,hexafluoro-3-methylisopropanol PubChem CID: 73936 IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol SMILES: CC(O)(C(F)(F)F)C(F)(F)F
| PubChem CID | 73936 |
|---|---|
| CAS | 1515-14-6 |
| Molecular Weight (g/mol) | 182.07 |
| MDL Number | MFCD00039259 |
| SMILES | CC(O)(C(F)(F)F)C(F)(F)F |
| Synonym | hexafluoro-2-methylisopropanol,1,1,1,3,3,3-hexafluoro-2-methyl-2-propanol,2-propanol, 1,1,1,3,3,3-hexafluoro-2-methyl,hexafluoro-tert-butanol,cf3 2mecoh,1,1,1,3,3,3-hexafluoro-2-methylisopropanol,methylbistrifluoromethylmethanol,cf3 2c oh ch3,fqdxjybxpomibx-uhfffaoysa,hexafluoro-3-methylisopropanol |
| IUPAC Name | 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol |
| InChI Key | FQDXJYBXPOMIBX-UHFFFAOYSA-N |
| Molecular Formula | C4H4F6O |
2-Butyne-1,4-diol, 99%
CAS: 110-65-6 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00002915 InChI Key: DLDJFQGPPSQZKI-UHFFFAOYSA-N Synonym: 2-butyne-1,4-diol,butynediol,1,4-dihydroxy-2-butyne,1,4-butynediol,bis hydroxymethyl acetylene,2-butynediol,2-butin-1,4-diol,agrisynth b3d,unii-axh202fpqm,1,4-butynediol van PubChem CID: 8066 ChEBI: CHEBI:16413 IUPAC Name: but-2-yne-1,4-diol SMILES: C(C#CCO)O
| PubChem CID | 8066 |
|---|---|
| CAS | 110-65-6 |
| Molecular Weight (g/mol) | 86.09 |
| ChEBI | CHEBI:16413 |
| MDL Number | MFCD00002915 |
| SMILES | C(C#CCO)O |
| Synonym | 2-butyne-1,4-diol,butynediol,1,4-dihydroxy-2-butyne,1,4-butynediol,bis hydroxymethyl acetylene,2-butynediol,2-butin-1,4-diol,agrisynth b3d,unii-axh202fpqm,1,4-butynediol van |
| IUPAC Name | but-2-yne-1,4-diol |
| InChI Key | DLDJFQGPPSQZKI-UHFFFAOYSA-N |
| Molecular Formula | C4H6O2 |
Cyclobutanemethanol, 99%
CAS: 4415-82-1 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.134 MDL Number: MFCD00001330 InChI Key: WPOPOPFNZYPKAV-UHFFFAOYSA-N Synonym: cyclobutanemethanol,hydroxymethylcyclobutane,cyclobutylcarbinol,hydroxymethyl cyclobutane,cyclobutyl methanol,cyclobutyl-methanol,cyclobutanecarbinol,cyclobutane carbinol,pubchem23465 PubChem CID: 78130 IUPAC Name: cyclobutylmethanol SMILES: C1CC(C1)CO
| PubChem CID | 78130 |
|---|---|
| CAS | 4415-82-1 |
| Molecular Weight (g/mol) | 86.134 |
| MDL Number | MFCD00001330 |
| SMILES | C1CC(C1)CO |
| Synonym | cyclobutanemethanol,hydroxymethylcyclobutane,cyclobutylcarbinol,hydroxymethyl cyclobutane,cyclobutyl methanol,cyclobutyl-methanol,cyclobutanecarbinol,cyclobutane carbinol,pubchem23465 |
| IUPAC Name | cyclobutylmethanol |
| InChI Key | WPOPOPFNZYPKAV-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |
2-Methylbutyraldehyde, 95%
CAS: 96-17-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00006984 InChI Key: BYGQBDHUGHBGMD-UHFFFAOYNA-N Synonym: 2-methylbutyraldehyde,butanal, 2-methyl,2-formylbutane,2-methylbutyric aldehyde,methylethylacetaldehyde,2-ethylpropanal,2-methyl-1-butanal,butyraldehyde, 2-methyl,acetaldehyde, ethylmethyl,alpha-methylbutanal PubChem CID: 7284 ChEBI: CHEBI:16182 IUPAC Name: 2-methylbutanal SMILES: CCC(C)C=O
| PubChem CID | 7284 |
|---|---|
| CAS | 96-17-3 |
| Molecular Weight (g/mol) | 86.13 |
| ChEBI | CHEBI:16182 |
| MDL Number | MFCD00006984 |
| SMILES | CCC(C)C=O |
| Synonym | 2-methylbutyraldehyde,butanal, 2-methyl,2-formylbutane,2-methylbutyric aldehyde,methylethylacetaldehyde,2-ethylpropanal,2-methyl-1-butanal,butyraldehyde, 2-methyl,acetaldehyde, ethylmethyl,alpha-methylbutanal |
| IUPAC Name | 2-methylbutanal |
| InChI Key | BYGQBDHUGHBGMD-UHFFFAOYNA-N |
| Molecular Formula | C5H10O |
2-Chlorocyclohexanone, 97%, stab. with calcium carbonate/magnesium oxide
CAS: 822-87-7 Molecular Formula: C6H9ClO Molecular Weight (g/mol): 132.59 MDL Number: MFCD00001626 InChI Key: CCHNWURRBFGQCD-UHFFFAOYNA-N Synonym: 2-chlorocyclohexanone,cyclohexanone, 2-chloro,alpha-chlorocyclohexanone,2-chlorocyclohexonone,.alpha.-chlorocyclohexanone,2-chlorocyclohexanon,2-chlorocylohexanone,2-chloro cyclohexanone,2-chloro-cyclohexanone,acmc-209ted PubChem CID: 13203 IUPAC Name: 2-chlorocyclohexan-1-one SMILES: ClC1CCCCC1=O
| PubChem CID | 13203 |
|---|---|
| CAS | 822-87-7 |
| Molecular Weight (g/mol) | 132.59 |
| MDL Number | MFCD00001626 |
| SMILES | ClC1CCCCC1=O |
| Synonym | 2-chlorocyclohexanone,cyclohexanone, 2-chloro,alpha-chlorocyclohexanone,2-chlorocyclohexonone,.alpha.-chlorocyclohexanone,2-chlorocyclohexanon,2-chlorocylohexanone,2-chloro cyclohexanone,2-chloro-cyclohexanone,acmc-209ted |
| IUPAC Name | 2-chlorocyclohexan-1-one |
| InChI Key | CCHNWURRBFGQCD-UHFFFAOYNA-N |
| Molecular Formula | C6H9ClO |
2-Chloro-4'-fluoroacetophenone, 99%
CAS: 456-04-2 Molecular Formula: C8H6ClFO Molecular Weight (g/mol): 172.583 MDL Number: MFCD00011652 InChI Key: UJZWJOQRSMOFMA-UHFFFAOYSA-N Synonym: 2-chloro-4'-fluoroacetophenone,2-chloro-1-4-fluorophenyl ethanone,p-fluorophenacyl chloride,4-fluorophenacyl chloride,alpha-chloro-4-fluoroacetophenone,4-chloroacetyl-1-fluorobenzene,alpha-chloro-p-fluoroacetophenone,2-chloro-1-4-fluorophenyl ethan-1-one,ethanone, 2-chloro-1-4-fluorophenyl,2'-chloro-4-fluoroacetophenone PubChem CID: 120248 IUPAC Name: 2-chloro-1-(4-fluorophenyl)ethanone SMILES: C1=CC(=CC=C1C(=O)CCl)F
| PubChem CID | 120248 |
|---|---|
| CAS | 456-04-2 |
| Molecular Weight (g/mol) | 172.583 |
| MDL Number | MFCD00011652 |
| SMILES | C1=CC(=CC=C1C(=O)CCl)F |
| Synonym | 2-chloro-4'-fluoroacetophenone,2-chloro-1-4-fluorophenyl ethanone,p-fluorophenacyl chloride,4-fluorophenacyl chloride,alpha-chloro-4-fluoroacetophenone,4-chloroacetyl-1-fluorobenzene,alpha-chloro-p-fluoroacetophenone,2-chloro-1-4-fluorophenyl ethan-1-one,ethanone, 2-chloro-1-4-fluorophenyl,2'-chloro-4-fluoroacetophenone |
| IUPAC Name | 2-chloro-1-(4-fluorophenyl)ethanone |
| InChI Key | UJZWJOQRSMOFMA-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClFO |
3,4-Dichlorobenzaldehyde, 97%
CAS: 6287-38-3 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.008 MDL Number: MFCD00003351 InChI Key: ZWUSBSHBFFPRNE-UHFFFAOYSA-N Synonym: benzaldehyde, 3,4-dichloro,unii-i6z632wsj5,ccris 6015,pubchem8230,3,4-dichlorobenzaldehye,3,4-dichlorobenzaldhyde,3,4 dichlorobenzaldehyde,3,4-dichlorobenzaidehyde,4,3-dichlorobenzaldehyde,dsstox_cid_4971 PubChem CID: 22710 IUPAC Name: 3,4-dichlorobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)Cl)Cl
| PubChem CID | 22710 |
|---|---|
| CAS | 6287-38-3 |
| Molecular Weight (g/mol) | 175.008 |
| MDL Number | MFCD00003351 |
| SMILES | C1=CC(=C(C=C1C=O)Cl)Cl |
| Synonym | benzaldehyde, 3,4-dichloro,unii-i6z632wsj5,ccris 6015,pubchem8230,3,4-dichlorobenzaldehye,3,4-dichlorobenzaldhyde,3,4 dichlorobenzaldehyde,3,4-dichlorobenzaidehyde,4,3-dichlorobenzaldehyde,dsstox_cid_4971 |
| IUPAC Name | 3,4-dichlorobenzaldehyde |
| InChI Key | ZWUSBSHBFFPRNE-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O |
4-Pentyn-1-ol, 95%
CAS: 5390-04-5 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.12 MDL Number: MFCD00002974 InChI Key: CRWVOXFUXPYTRK-UHFFFAOYSA-N Synonym: 6-bromoveratraldehyde,6-bromo-3,4-dimethoxybenzaldehyde,benzaldehyde, 2-bromo-4,5-dimethoxy,6-bromo veratraldehyde,2-bromo-4,5-dimethoxybenzalehyde,4,5-dimethoxy-2-bromobenzaldehyde,6-bromoveratral,pubchem8209,veratraldehyde, 6-bromo,acmc-2097hh PubChem CID: 79351 SMILES: OCCCC#C
| PubChem CID | 79351 |
|---|---|
| CAS | 5390-04-5 |
| Molecular Weight (g/mol) | 84.12 |
| MDL Number | MFCD00002974 |
| SMILES | OCCCC#C |
| Synonym | 6-bromoveratraldehyde,6-bromo-3,4-dimethoxybenzaldehyde,benzaldehyde, 2-bromo-4,5-dimethoxy,6-bromo veratraldehyde,2-bromo-4,5-dimethoxybenzalehyde,4,5-dimethoxy-2-bromobenzaldehyde,6-bromoveratral,pubchem8209,veratraldehyde, 6-bromo,acmc-2097hh |
| InChI Key | CRWVOXFUXPYTRK-UHFFFAOYSA-N |
| Molecular Formula | C5H8O |
2-Hydroxymethylbenzothiazole, 98%, Thermo Scientific™
CAS: 37859-42-0 Molecular Formula: C8H7NOS Molecular Weight (g/mol): 165.21 MDL Number: MFCD00226293 InChI Key: PQXMQZYDBQBWNL-UHFFFAOYSA-N Synonym: benzo d thiazol-2-ylmethanol,2-benzothiazolemethanol,2-hydroxymethylbenzothiazole,1,3-benzothiazol-2-yl-methanol,benzothiazol-2-ylmethan-1-ol,zlchem 107,pubchem14535,benzothiazol-2-yl-methanol,chembl71700,1,3-benzothiazol-2-yl methanol PubChem CID: 268122 IUPAC Name: 1,3-benzothiazol-2-ylmethanol SMILES: OCC1=NC2=CC=CC=C2S1
| PubChem CID | 268122 |
|---|---|
| CAS | 37859-42-0 |
| Molecular Weight (g/mol) | 165.21 |
| MDL Number | MFCD00226293 |
| SMILES | OCC1=NC2=CC=CC=C2S1 |
| Synonym | benzo d thiazol-2-ylmethanol,2-benzothiazolemethanol,2-hydroxymethylbenzothiazole,1,3-benzothiazol-2-yl-methanol,benzothiazol-2-ylmethan-1-ol,zlchem 107,pubchem14535,benzothiazol-2-yl-methanol,chembl71700,1,3-benzothiazol-2-yl methanol |
| IUPAC Name | 1,3-benzothiazol-2-ylmethanol |
| InChI Key | PQXMQZYDBQBWNL-UHFFFAOYSA-N |
| Molecular Formula | C8H7NOS |
3-Bromo-1-propanol, 97%
CAS: 627-18-9 Molecular Formula: C3H7BrO Molecular Weight (g/mol): 138.99 MDL Number: MFCD00002942 InChI Key: RQFUZUMFPRMVDX-UHFFFAOYSA-N Synonym: 3-bromo-1-propanol,trimethylene bromohydrin,1-propanol, 3-bromo,3-bromopropanol,3-hydroxypropyl bromide,1-bromo-3-propanol,3-bromo-propan-1-ol,ccris 5979,1-bromo-3-hydroxypropane,unii-3t4axh68fh PubChem CID: 12308 IUPAC Name: 3-bromopropan-1-ol SMILES: OCCCBr
| PubChem CID | 12308 |
|---|---|
| CAS | 627-18-9 |
| Molecular Weight (g/mol) | 138.99 |
| MDL Number | MFCD00002942 |
| SMILES | OCCCBr |
| Synonym | 3-bromo-1-propanol,trimethylene bromohydrin,1-propanol, 3-bromo,3-bromopropanol,3-hydroxypropyl bromide,1-bromo-3-propanol,3-bromo-propan-1-ol,ccris 5979,1-bromo-3-hydroxypropane,unii-3t4axh68fh |
| IUPAC Name | 3-bromopropan-1-ol |
| InChI Key | RQFUZUMFPRMVDX-UHFFFAOYSA-N |
| Molecular Formula | C3H7BrO |
3-Acetylbenzeneboronic acid, 97%
CAS: 204841-19-0 Molecular Formula: C8H9BO3 Molecular Weight (g/mol): 163.967 MDL Number: MFCD01074678 InChI Key: SJGGDZCTGBKBCK-UHFFFAOYSA-N Synonym: 3-acetylphenyl boronic acid,3-acetylbenzeneboronic acid,3-acetylphenylboronicacid,m-acetylphenylboronic acid,3'-boronoacetophenone,boronic acid, 3-acetylphenyl,1-3-dihydroxyboranyl phenyl ethan-1-one,pubchem2751,acmc-209faq,3-acetylphenyboronic acid PubChem CID: 2734310 ChEBI: CHEBI:86552 IUPAC Name: (3-acetylphenyl)boronic acid SMILES: B(C1=CC(=CC=C1)C(=O)C)(O)O
| PubChem CID | 2734310 |
|---|---|
| CAS | 204841-19-0 |
| Molecular Weight (g/mol) | 163.967 |
| ChEBI | CHEBI:86552 |
| MDL Number | MFCD01074678 |
| SMILES | B(C1=CC(=CC=C1)C(=O)C)(O)O |
| Synonym | 3-acetylphenyl boronic acid,3-acetylbenzeneboronic acid,3-acetylphenylboronicacid,m-acetylphenylboronic acid,3'-boronoacetophenone,boronic acid, 3-acetylphenyl,1-3-dihydroxyboranyl phenyl ethan-1-one,pubchem2751,acmc-209faq,3-acetylphenyboronic acid |
| IUPAC Name | (3-acetylphenyl)boronic acid |
| InChI Key | SJGGDZCTGBKBCK-UHFFFAOYSA-N |
| Molecular Formula | C8H9BO3 |
Chroman-3-carboxylic acid, 97%, Thermo Scientific Chemicals
CAS: 115822-57-6 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD03783554 InChI Key: UGAGZMGJJFSKQM-UHFFFAOYSA-N Synonym: chroman-3-carboxylic acid,3-chromanecarboxylic acid,chromane-3-carboxylic acid,3,4-dihydro-2h-1-benzopyran-3-carboxylic acid,2h-1-benzopyran-3-carboxylic acid, 3,4-dihydro,2h-1-benzopyran-3-carboxylicacid, 3,4-dihydro,3,4-dihydro-2h-benzopyran-3-carboxylic acid PubChem CID: 2795458 IUPAC Name: 3,4-dihydro-2H-chromene-3-carboxylic acid SMILES: C1C(COC2=CC=CC=C21)C(=O)O
| PubChem CID | 2795458 |
|---|---|
| CAS | 115822-57-6 |
| Molecular Weight (g/mol) | 178.187 |
| MDL Number | MFCD03783554 |
| SMILES | C1C(COC2=CC=CC=C21)C(=O)O |
| Synonym | chroman-3-carboxylic acid,3-chromanecarboxylic acid,chromane-3-carboxylic acid,3,4-dihydro-2h-1-benzopyran-3-carboxylic acid,2h-1-benzopyran-3-carboxylic acid, 3,4-dihydro,2h-1-benzopyran-3-carboxylicacid, 3,4-dihydro,3,4-dihydro-2h-benzopyran-3-carboxylic acid |
| IUPAC Name | 3,4-dihydro-2H-chromene-3-carboxylic acid |
| InChI Key | UGAGZMGJJFSKQM-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
4'-Acetamidoacetophenone, 98%
CAS: 2719-21-3 Molecular Formula: C10H11NO2 Molecular Weight (g/mol): 177.203 MDL Number: MFCD00014965 InChI Key: WECHHDJTILFYQT-UHFFFAOYSA-N Synonym: 4'-acetamidoacetophenone,n-4-acetylphenyl acetamide,4-acetamidoacetophenone,n-p-acetylphenyl acetamide,acetamide, n-4-acetylphenyl,p-acetylaminoacetophenone,4-acetylacetanilide,4'-acetylacetanilide,p-acetamidoacetophenone,4-acetamido-acetophenone PubChem CID: 75937 IUPAC Name: N-(4-acetylphenyl)acetamide SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)C
| PubChem CID | 75937 |
|---|---|
| CAS | 2719-21-3 |
| Molecular Weight (g/mol) | 177.203 |
| MDL Number | MFCD00014965 |
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)C |
| Synonym | 4'-acetamidoacetophenone,n-4-acetylphenyl acetamide,4-acetamidoacetophenone,n-p-acetylphenyl acetamide,acetamide, n-4-acetylphenyl,p-acetylaminoacetophenone,4-acetylacetanilide,4'-acetylacetanilide,p-acetamidoacetophenone,4-acetamido-acetophenone |
| IUPAC Name | N-(4-acetylphenyl)acetamide |
| InChI Key | WECHHDJTILFYQT-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO2 |
4-Chloro-1-butanol, tech. 85%
CAS: 928-51-8 Molecular Formula: C4H9ClO Molecular Weight (g/mol): 108.57 MDL Number: MFCD00002967 InChI Key: HXHGULXINZUGJX-UHFFFAOYSA-N Synonym: 4-chloro-1-butanol,4-chlorobutanol,1-butanol, 4-chloro,tetramethylene chlorohydrin,4-chloro-1-butane-ol,4-chlorbutan-1-ol,unii-42ei3i5ay0,4-chlorbutan-1-ol german,ccris 7507,4-chloro-butan-1-ol PubChem CID: 13569 ChEBI: CHEBI:87310 IUPAC Name: 4-chlorobutan-1-ol SMILES: OCCCCCl
| PubChem CID | 13569 |
|---|---|
| CAS | 928-51-8 |
| Molecular Weight (g/mol) | 108.57 |
| ChEBI | CHEBI:87310 |
| MDL Number | MFCD00002967 |
| SMILES | OCCCCCl |
| Synonym | 4-chloro-1-butanol,4-chlorobutanol,1-butanol, 4-chloro,tetramethylene chlorohydrin,4-chloro-1-butane-ol,4-chlorbutan-1-ol,unii-42ei3i5ay0,4-chlorbutan-1-ol german,ccris 7507,4-chloro-butan-1-ol |
| IUPAC Name | 4-chlorobutan-1-ol |
| InChI Key | HXHGULXINZUGJX-UHFFFAOYSA-N |
| Molecular Formula | C4H9ClO |
Benzo[b]furan-2-carboxaldehyde, 99%
CAS: 4265-16-1 Molecular Formula: C9H6O2 Molecular Weight (g/mol): 146.145 MDL Number: MFCD00015463 InChI Key: ADDZHRRCUWNSCS-UHFFFAOYSA-N Synonym: benzo b furan-2-carboxaldehyde,2-benzofurancarboxaldehyde,benzofuran-2-carbaldehyde,benzofuran-2-carboxaldehyde,2-formylbenzofuran,2-benzofurancarbaldehyde,coumarilaldehyde,1-benzofuran-2-carboxaldehyde,benzofuran-2-aldehyde,benzo b-2-furfural PubChem CID: 61341 IUPAC Name: 1-benzofuran-2-carbaldehyde SMILES: C1=CC=C2C(=C1)C=C(O2)C=O
| PubChem CID | 61341 |
|---|---|
| CAS | 4265-16-1 |
| Molecular Weight (g/mol) | 146.145 |
| MDL Number | MFCD00015463 |
| SMILES | C1=CC=C2C(=C1)C=C(O2)C=O |
| Synonym | benzo b furan-2-carboxaldehyde,2-benzofurancarboxaldehyde,benzofuran-2-carbaldehyde,benzofuran-2-carboxaldehyde,2-formylbenzofuran,2-benzofurancarbaldehyde,coumarilaldehyde,1-benzofuran-2-carboxaldehyde,benzofuran-2-aldehyde,benzo b-2-furfural |
| IUPAC Name | 1-benzofuran-2-carbaldehyde |
| InChI Key | ADDZHRRCUWNSCS-UHFFFAOYSA-N |
| Molecular Formula | C9H6O2 |