Organooxygen compounds
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5-Bromo-3-pyridinemethanol 98.0+%, TCI America™
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CAS: 37669-64-0 Molecular Formula: C6H6BrNO Molecular Weight (g/mol): 188.02 MDL Number: MFCD03265757 InChI Key: WDVDHJLKXYCOFS-UHFFFAOYSA-N Synonym: 5-bromopyridin-3-yl methanol,5-bromo-3-pyridinemethanol,3-bromo-5-hydroxymethylpyridine,5-bromo-3-hydroxymethylpyridine,5-bromo-3-pyridinyl methanol,5-bromo-pyridin-3-yl-methanol,3-pyridinemethanol, 5-bromo,5-bromo-3-pyridyl methan-1-ol,3-bromo-5-hydroxymethyl pyridine,3-bromo-pyridin-5-yl methanol PubChem CID: 2784733 IUPAC Name: (5-bromopyridin-3-yl)methanol SMILES: OCC1=CC(Br)=CN=C1
| PubChem CID | 2784733 |
|---|---|
| CAS | 37669-64-0 |
| Molecular Weight (g/mol) | 188.02 |
| MDL Number | MFCD03265757 |
| SMILES | OCC1=CC(Br)=CN=C1 |
| Synonym | 5-bromopyridin-3-yl methanol,5-bromo-3-pyridinemethanol,3-bromo-5-hydroxymethylpyridine,5-bromo-3-hydroxymethylpyridine,5-bromo-3-pyridinyl methanol,5-bromo-pyridin-3-yl-methanol,3-pyridinemethanol, 5-bromo,5-bromo-3-pyridyl methan-1-ol,3-bromo-5-hydroxymethyl pyridine,3-bromo-pyridin-5-yl methanol |
| IUPAC Name | (5-bromopyridin-3-yl)methanol |
| InChI Key | WDVDHJLKXYCOFS-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrNO |
2',3',4'-Trichloroacetophenone 98.0+%, TCI America™
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CAS: 13608-87-2 Molecular Formula: C8H5Cl3O Molecular Weight (g/mol): 223.477 MDL Number: MFCD00000542 InChI Key: BXJZZJYNVIDEKG-UHFFFAOYSA-N PubChem CID: 26132 IUPAC Name: 1-(2,3,4-trichlorophenyl)ethanone SMILES: CC(=O)C1=C(C(=C(C=C1)Cl)Cl)Cl
| PubChem CID | 26132 |
|---|---|
| CAS | 13608-87-2 |
| Molecular Weight (g/mol) | 223.477 |
| MDL Number | MFCD00000542 |
| SMILES | CC(=O)C1=C(C(=C(C=C1)Cl)Cl)Cl |
| IUPAC Name | 1-(2,3,4-trichlorophenyl)ethanone |
| InChI Key | BXJZZJYNVIDEKG-UHFFFAOYSA-N |
| Molecular Formula | C8H5Cl3O |
5-Fluoro-1-indanone 96.0+%, TCI America™
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CAS: 700-84-5 Molecular Formula: C9H7FO Molecular Weight (g/mol): 150.15 MDL Number: MFCD00041031 InChI Key: WVPPBVAMKNQXJA-UHFFFAOYSA-N Synonym: 5-fluoro-1-indanone,5-fluoro-2,3-dihydro-1h-inden-1-one,5-fluoroindan-1-one,1h-inden-1-one, 5-fluoro-2,3-dihydro,2,3-dihydro-5-fluoro-1h-inden-1-one,5-fluoroindanone,5-fluoro indanone,pubchem2388,5-flouro-1-indanone,pubchem13785 PubChem CID: 136537 IUPAC Name: 5-fluoro-2,3-dihydro-1H-inden-1-one SMILES: FC1=CC=C2C(=O)CCC2=C1
| PubChem CID | 136537 |
|---|---|
| CAS | 700-84-5 |
| Molecular Weight (g/mol) | 150.15 |
| MDL Number | MFCD00041031 |
| SMILES | FC1=CC=C2C(=O)CCC2=C1 |
| Synonym | 5-fluoro-1-indanone,5-fluoro-2,3-dihydro-1h-inden-1-one,5-fluoroindan-1-one,1h-inden-1-one, 5-fluoro-2,3-dihydro,2,3-dihydro-5-fluoro-1h-inden-1-one,5-fluoroindanone,5-fluoro indanone,pubchem2388,5-flouro-1-indanone,pubchem13785 |
| IUPAC Name | 5-fluoro-2,3-dihydro-1H-inden-1-one |
| InChI Key | WVPPBVAMKNQXJA-UHFFFAOYSA-N |
| Molecular Formula | C9H7FO |
Undecyl Ether, TCI America™
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CAS: 43146-97-0 Molecular Formula: C22H46O Molecular Weight (g/mol): 326.609 MDL Number: MFCD00059282 InChI Key: TXYKVMGAIGVXFY-UHFFFAOYSA-N Synonym: Diundecyl Ether PubChem CID: 6451962 IUPAC Name: 1-undecoxyundecane SMILES: CCCCCCCCCCCOCCCCCCCCCCC
| PubChem CID | 6451962 |
|---|---|
| CAS | 43146-97-0 |
| Molecular Weight (g/mol) | 326.609 |
| MDL Number | MFCD00059282 |
| SMILES | CCCCCCCCCCCOCCCCCCCCCCC |
| Synonym | Diundecyl Ether |
| IUPAC Name | 1-undecoxyundecane |
| InChI Key | TXYKVMGAIGVXFY-UHFFFAOYSA-N |
| Molecular Formula | C22H46O |
trans-4-tert-Butylcyclohexanol 95.0+%, TCI America™
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CAS: 21862-63-5 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.269 MDL Number: MFCD00064952 InChI Key: CCOQPGVQAWPUPE-UHFFFAOYSA-N PubChem CID: 7391 IUPAC Name: 4-tert-butylcyclohexan-1-ol SMILES: CC(C)(C)C1CCC(CC1)O
| PubChem CID | 7391 |
|---|---|
| CAS | 21862-63-5 |
| Molecular Weight (g/mol) | 156.269 |
| MDL Number | MFCD00064952 |
| SMILES | CC(C)(C)C1CCC(CC1)O |
| IUPAC Name | 4-tert-butylcyclohexan-1-ol |
| InChI Key | CCOQPGVQAWPUPE-UHFFFAOYSA-N |
| Molecular Formula | C10H20O |
Dyclonine Hydrochloride 98.0+%, TCI America™
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CAS: 536-43-6 Molecular Formula: C18H28ClNO2 Molecular Weight (g/mol): 325.88 MDL Number: MFCD00035386 InChI Key: KNZADIMHVBBPOA-UHFFFAOYSA-N Synonym: dyclonine hydrochloride,dyclonine hcl,dyclone,dyclothane,tanaclone,4'-butoxy-3-piperidinopropiophenone hydrochloride,dyclocaine hydrochloride,unii-zec193879q,1-propanone, 1-4-butoxyphenyl-3-1-piperidinyl-, hydrochloride PubChem CID: 68304 ChEBI: CHEBI:4725 IUPAC Name: hydrogen 1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one chloride SMILES: [H+].[Cl-].CCCCOC1=CC=C(C=C1)C(=O)CCN1CCCCC1
| PubChem CID | 68304 |
|---|---|
| CAS | 536-43-6 |
| Molecular Weight (g/mol) | 325.88 |
| ChEBI | CHEBI:4725 |
| MDL Number | MFCD00035386 |
| SMILES | [H+].[Cl-].CCCCOC1=CC=C(C=C1)C(=O)CCN1CCCCC1 |
| Synonym | dyclonine hydrochloride,dyclonine hcl,dyclone,dyclothane,tanaclone,4'-butoxy-3-piperidinopropiophenone hydrochloride,dyclocaine hydrochloride,unii-zec193879q,1-propanone, 1-4-butoxyphenyl-3-1-piperidinyl-, hydrochloride |
| IUPAC Name | hydrogen 1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one chloride |
| InChI Key | KNZADIMHVBBPOA-UHFFFAOYSA-N |
| Molecular Formula | C18H28ClNO2 |
Diethylene Glycol Butyl Methyl Ether 99.0+%, TCI America™
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CAS: 7382-32-3 Molecular Formula: C9H20O3 Molecular Weight (g/mol): 176.256 MDL Number: MFCD00518661 InChI Key: HYLLZXPMJRMUHH-UHFFFAOYSA-N Synonym: 1-[2-(2-Methoxyethoxy)ethoxy]butane PubChem CID: 81861 IUPAC Name: 1-[2-(2-methoxyethoxy)ethoxy]butane SMILES: CCCCOCCOCCOC
| PubChem CID | 81861 |
|---|---|
| CAS | 7382-32-3 |
| Molecular Weight (g/mol) | 176.256 |
| MDL Number | MFCD00518661 |
| SMILES | CCCCOCCOCCOC |
| Synonym | 1-[2-(2-Methoxyethoxy)ethoxy]butane |
| IUPAC Name | 1-[2-(2-methoxyethoxy)ethoxy]butane |
| InChI Key | HYLLZXPMJRMUHH-UHFFFAOYSA-N |
| Molecular Formula | C9H20O3 |
3'-Dimethylaminoacetophenone 98.0+%, TCI America™
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CAS: 18992-80-8 Molecular Formula: C10H13NO Molecular Weight (g/mol): 163.22 MDL Number: MFCD00059343 InChI Key: KYEMJVGXLJXCSM-UHFFFAOYSA-N PubChem CID: 519620 IUPAC Name: 1-[3-(dimethylamino)phenyl]ethanone SMILES: CC(=O)C1=CC(=CC=C1)N(C)C
| PubChem CID | 519620 |
|---|---|
| CAS | 18992-80-8 |
| Molecular Weight (g/mol) | 163.22 |
| MDL Number | MFCD00059343 |
| SMILES | CC(=O)C1=CC(=CC=C1)N(C)C |
| IUPAC Name | 1-[3-(dimethylamino)phenyl]ethanone |
| InChI Key | KYEMJVGXLJXCSM-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO |
2,2',4'-Trichloroacetophenone 98.0+%, TCI America™
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CAS: 4252-78-2 Molecular Formula: C8H5Cl3O Molecular Weight (g/mol): 223.477 MDL Number: MFCD00000934 InChI Key: VYWPPRLJNVHPEU-UHFFFAOYSA-N Synonym: 2,2',4'-trichloroacetophenone,2-chloro-1-2,4-dichlorophenyl ethanone,2,4-dichlorophenacyl chloride,unii-2e35p7hji2,2-chloro-1-2,4-dichlorophenyl ethan-1-one,ccris 633,ethanone, 2-chloro-1-2,4-dichlorophenyl,2,2,4-trichloroacetophenone,dsstox_cid_6190,1-2,4-dichlorophenyl-2-chloroethan-1-one PubChem CID: 20250 IUPAC Name: 2-chloro-1-(2,4-dichlorophenyl)ethanone SMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)CCl
| PubChem CID | 20250 |
|---|---|
| CAS | 4252-78-2 |
| Molecular Weight (g/mol) | 223.477 |
| MDL Number | MFCD00000934 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)C(=O)CCl |
| Synonym | 2,2',4'-trichloroacetophenone,2-chloro-1-2,4-dichlorophenyl ethanone,2,4-dichlorophenacyl chloride,unii-2e35p7hji2,2-chloro-1-2,4-dichlorophenyl ethan-1-one,ccris 633,ethanone, 2-chloro-1-2,4-dichlorophenyl,2,2,4-trichloroacetophenone,dsstox_cid_6190,1-2,4-dichlorophenyl-2-chloroethan-1-one |
| IUPAC Name | 2-chloro-1-(2,4-dichlorophenyl)ethanone |
| InChI Key | VYWPPRLJNVHPEU-UHFFFAOYSA-N |
| Molecular Formula | C8H5Cl3O |
Butyroin 96.0+%, TCI America™
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CAS: 496-77-5 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00021928 InChI Key: BVEYJWQCMOVMAR-UHFFFAOYNA-N Synonym: butyroin,5-hydroxy-4-octanone,4-octanone, 5-hydroxy,5-octanol-4-one,octan-4-ol-5-one,fema no. 2587,5-hydroxy-octan-4-one,acmc-1aijr,ksc236m9n,+/--5-hydroxy-4-octanone PubChem CID: 219794 IUPAC Name: 5-hydroxyoctan-4-one SMILES: CCCC(O)C(=O)CCC
| PubChem CID | 219794 |
|---|---|
| CAS | 496-77-5 |
| Molecular Weight (g/mol) | 144.21 |
| MDL Number | MFCD00021928 |
| SMILES | CCCC(O)C(=O)CCC |
| Synonym | butyroin,5-hydroxy-4-octanone,4-octanone, 5-hydroxy,5-octanol-4-one,octan-4-ol-5-one,fema no. 2587,5-hydroxy-octan-4-one,acmc-1aijr,ksc236m9n,+/--5-hydroxy-4-octanone |
| IUPAC Name | 5-hydroxyoctan-4-one |
| InChI Key | BVEYJWQCMOVMAR-UHFFFAOYNA-N |
| Molecular Formula | C8H16O2 |
(S)-(+)-1-Methoxy-2-propanol 98.0+%, TCI America™
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CAS: 26550-55-0 Molecular Formula: C4H10O2 Molecular Weight (g/mol): 90.122 MDL Number: MFCD01632588 InChI Key: ARXJGSRGQADJSQ-BYPYZUCNSA-N Synonym: s-+-1-methoxy-2-propanol,2s-1-methoxypropan-2-ol,s-1-methoxypropan-2-ol,s---1-methoxy-2-propanol,s-1-methoxy-2-propanol,2-propanol, 1-methoxy-, 2s,2s-1-methoxy-2-propanol,pubchem6715,s-1-methoxy-propan-2-ol PubChem CID: 6993459 IUPAC Name: (2S)-1-methoxypropan-2-ol SMILES: CC(COC)O
| PubChem CID | 6993459 |
|---|---|
| CAS | 26550-55-0 |
| Molecular Weight (g/mol) | 90.122 |
| MDL Number | MFCD01632588 |
| SMILES | CC(COC)O |
| Synonym | s-+-1-methoxy-2-propanol,2s-1-methoxypropan-2-ol,s-1-methoxypropan-2-ol,s---1-methoxy-2-propanol,s-1-methoxy-2-propanol,2-propanol, 1-methoxy-, 2s,2s-1-methoxy-2-propanol,pubchem6715,s-1-methoxy-propan-2-ol |
| IUPAC Name | (2S)-1-methoxypropan-2-ol |
| InChI Key | ARXJGSRGQADJSQ-BYPYZUCNSA-N |
| Molecular Formula | C4H10O2 |
2-Amino-1-methoxybutane 90.0+%, TCI America™
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CAS: 63448-63-5 Molecular Formula: C5H13NO Molecular Weight (g/mol): 103.165 MDL Number: MFCD00047920 InChI Key: QAFODUGVXFNLBE-UHFFFAOYSA-N Synonym: 1-Methoxy-sec-butylamine PubChem CID: 93837 IUPAC Name: 1-methoxybutan-2-amine SMILES: CCC(COC)N
| PubChem CID | 93837 |
|---|---|
| CAS | 63448-63-5 |
| Molecular Weight (g/mol) | 103.165 |
| MDL Number | MFCD00047920 |
| SMILES | CCC(COC)N |
| Synonym | 1-Methoxy-sec-butylamine |
| IUPAC Name | 1-methoxybutan-2-amine |
| InChI Key | QAFODUGVXFNLBE-UHFFFAOYSA-N |
| Molecular Formula | C5H13NO |
trans-4-(Hydroxymethyl)cyclohexanecarboxylic Acid 98.0+%, TCI America™
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CAS: 66185-74-8 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.20 MDL Number: MFCD10566907,MFCD01734677,MFCD10566906 InChI Key: VQMIUUBKKPIDBN-UHFFFAOYSA-N PubChem CID: 202819 IUPAC Name: 4-(hydroxymethyl)cyclohexane-1-carboxylic acid SMILES: OCC1CCC(CC1)C(O)=O
| PubChem CID | 202819 |
|---|---|
| CAS | 66185-74-8 |
| Molecular Weight (g/mol) | 158.20 |
| MDL Number | MFCD10566907,MFCD01734677,MFCD10566906 |
| SMILES | OCC1CCC(CC1)C(O)=O |
| IUPAC Name | 4-(hydroxymethyl)cyclohexane-1-carboxylic acid |
| InChI Key | VQMIUUBKKPIDBN-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
4,5-Dimethoxy-1-benzocyclobutenecarbonitrile 98.0+%, TCI America™
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CAS: 35202-54-1 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.214 MDL Number: MFCD01846132 InChI Key: HJTHVTHXHHFXMJ-UHFFFAOYSA-N Synonym: 1-Cyano-4,5-dimethoxybenzocyclobutene, 3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile PubChem CID: 290544 IUPAC Name: 3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile SMILES: COC1=C(C=C2C(CC2=C1)C#N)OC
| PubChem CID | 290544 |
|---|---|
| CAS | 35202-54-1 |
| Molecular Weight (g/mol) | 189.214 |
| MDL Number | MFCD01846132 |
| SMILES | COC1=C(C=C2C(CC2=C1)C#N)OC |
| Synonym | 1-Cyano-4,5-dimethoxybenzocyclobutene, 3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile |
| IUPAC Name | 3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile |
| InChI Key | HJTHVTHXHHFXMJ-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO2 |
(1alpha,3alpha,5alpha)-1,3,5-Cyclohexanetriol 98.0+%, TCI America™
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CAS: 50409-12-6 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.159 MDL Number: MFCD00043062 InChI Key: FSDSKERRNURGGO-UHFFFAOYSA-N PubChem CID: 230351 IUPAC Name: cyclohexane-1,3,5-triol SMILES: C1C(CC(CC1O)O)O
| PubChem CID | 230351 |
|---|---|
| CAS | 50409-12-6 |
| Molecular Weight (g/mol) | 132.159 |
| MDL Number | MFCD00043062 |
| SMILES | C1C(CC(CC1O)O)O |
| IUPAC Name | cyclohexane-1,3,5-triol |
| InChI Key | FSDSKERRNURGGO-UHFFFAOYSA-N |
| Molecular Formula | C6H12O3 |