Carbonyl compounds
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2-Chloro-3-pyridinecarboxaldehyde, 98%
CAS: 36404-88-3 Molecular Formula: C6H4ClNO Molecular Weight (g/mol): 141.56 MDL Number: MFCD01315308 InChI Key: KHPAGGHFIDLUMB-UHFFFAOYSA-N Synonym: 2-chloro-3-formylpyridine,2-chloronicotinaldehyde,2-chloro-3-pyridinecarboxaldehyde,2-chloro-pyridine-3-carbaldehyde,chloro-2-formyl-3-pyridine,2-chloropyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 2-chloro,2-chloro-3-pyridinecarbaldehyde,2-chloro-3-pyridinecarboxyaldehyde,2-chloro-pyridin-3-carbaldehyde PubChem CID: 737607 IUPAC Name: 2-chloropyridine-3-carbaldehyde SMILES: C1=CC(=C(N=C1)Cl)C=O
| PubChem CID | 737607 |
|---|---|
| CAS | 36404-88-3 |
| Molecular Weight (g/mol) | 141.56 |
| MDL Number | MFCD01315308 |
| SMILES | C1=CC(=C(N=C1)Cl)C=O |
| Synonym | 2-chloro-3-formylpyridine,2-chloronicotinaldehyde,2-chloro-3-pyridinecarboxaldehyde,2-chloro-pyridine-3-carbaldehyde,chloro-2-formyl-3-pyridine,2-chloropyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 2-chloro,2-chloro-3-pyridinecarbaldehyde,2-chloro-3-pyridinecarboxyaldehyde,2-chloro-pyridin-3-carbaldehyde |
| IUPAC Name | 2-chloropyridine-3-carbaldehyde |
| InChI Key | KHPAGGHFIDLUMB-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO |
2-Octen-4-one, 97%
CAS: 4643-27-0 Molecular Formula: C8H14O Molecular Weight (g/mol): 126.199 MDL Number: MFCD00061023 InChI Key: FMDLEUPBHMCPQV-GQCTYLIASA-N Synonym: 2-octen-4-one,propenyl butyl ketone,butyl propenyl ketone,unii-c9nb51lmxt,2-octen-4-one natural,fema no. 3603,c9nb51lmxt,e-oct-2-en-4-one,2e-oct-2-en-4-one,2e-2-octen-4-one PubChem CID: 5365891 IUPAC Name: (E)-oct-2-en-4-one SMILES: CCCCC(=O)C=CC
| PubChem CID | 5365891 |
|---|---|
| CAS | 4643-27-0 |
| Molecular Weight (g/mol) | 126.199 |
| MDL Number | MFCD00061023 |
| SMILES | CCCCC(=O)C=CC |
| Synonym | 2-octen-4-one,propenyl butyl ketone,butyl propenyl ketone,unii-c9nb51lmxt,2-octen-4-one natural,fema no. 3603,c9nb51lmxt,e-oct-2-en-4-one,2e-oct-2-en-4-one,2e-2-octen-4-one |
| IUPAC Name | (E)-oct-2-en-4-one |
| InChI Key | FMDLEUPBHMCPQV-GQCTYLIASA-N |
| Molecular Formula | C8H14O |
2-Hydroxy-3-methylbenzaldehyde, 98%
CAS: 824-42-0 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00040798 InChI Key: IPPQNXSAJZOTJZ-UHFFFAOYSA-N Synonym: 3-methylsalicylaldehyde,2,3-cresotaldehyde,2-hydroxy-3-methyl-benzaldehyde,3-methylsalicylic aldehyde,3-methyl-2-hydroxybenzaldehyde,benzaldehyde, hydroxy-3-methyl,benzaldehyde, 2-hydroxy-3-methyl,zlchem 747,pubchem14264,2-formyl-6-methylphenol PubChem CID: 522777 ChEBI: CHEBI:20110 IUPAC Name: 2-hydroxy-3-methylbenzaldehyde SMILES: CC1=CC=CC(=C1O)C=O
| PubChem CID | 522777 |
|---|---|
| CAS | 824-42-0 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:20110 |
| MDL Number | MFCD00040798 |
| SMILES | CC1=CC=CC(=C1O)C=O |
| Synonym | 3-methylsalicylaldehyde,2,3-cresotaldehyde,2-hydroxy-3-methyl-benzaldehyde,3-methylsalicylic aldehyde,3-methyl-2-hydroxybenzaldehyde,benzaldehyde, hydroxy-3-methyl,benzaldehyde, 2-hydroxy-3-methyl,zlchem 747,pubchem14264,2-formyl-6-methylphenol |
| IUPAC Name | 2-hydroxy-3-methylbenzaldehyde |
| InChI Key | IPPQNXSAJZOTJZ-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
alpha-Hydroxyacetophenone, 97%
CAS: 582-24-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00041829 InChI Key: ZWVHTXAYIKBMEE-UHFFFAOYSA-N Synonym: 2-hydroxyacetophenone,benzoylcarbinol,glycolophenone,phenacyl alcohol,alpha-hydroxyacetophenone,2-hydroxy-1-phenylethan-1-one,ethanone, 2-hydroxy-1-phenyl,methanol, benzoyl,omega-hydroxyacetophenone,acetophenone, 2-hydroxy PubChem CID: 68490 ChEBI: CHEBI:28341 IUPAC Name: 2-hydroxy-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)CO
| PubChem CID | 68490 |
|---|---|
| CAS | 582-24-1 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:28341 |
| MDL Number | MFCD00041829 |
| SMILES | C1=CC=C(C=C1)C(=O)CO |
| Synonym | 2-hydroxyacetophenone,benzoylcarbinol,glycolophenone,phenacyl alcohol,alpha-hydroxyacetophenone,2-hydroxy-1-phenylethan-1-one,ethanone, 2-hydroxy-1-phenyl,methanol, benzoyl,omega-hydroxyacetophenone,acetophenone, 2-hydroxy |
| IUPAC Name | 2-hydroxy-1-phenylethanone |
| InChI Key | ZWVHTXAYIKBMEE-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
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 |
| 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 |
Cyclopropyl 4-methoxyphenyl ketone, 98%
CAS: 7152-03-6 Molecular Formula: C11H12O2 Molecular Weight (g/mol): 176.22 MDL Number: MFCD00001296 InChI Key: YKZSVEVTRUSPOQ-UHFFFAOYSA-N Synonym: cyclopropyl 4-methoxyphenyl methanone,cyclopropyl 4-methoxyphenyl ketone,methanone, cyclopropyl 4-methoxyphenyl,chembl82673,cyclopropyl-4-methoxyphenyl methanone,cyclopropyl-4-methoxy-phenyl-methanone,maybridge3_006117,4-methoxybenzoylcyclopropane,cyclopropyl p-anisyl ketone,methanone,cyclopropyl 4-methoxyphenyl PubChem CID: 81580 IUPAC Name: cyclopropyl-(4-methoxyphenyl)methanone SMILES: COC1=CC=C(C=C1)C(=O)C2CC2
| PubChem CID | 81580 |
|---|---|
| CAS | 7152-03-6 |
| Molecular Weight (g/mol) | 176.22 |
| MDL Number | MFCD00001296 |
| SMILES | COC1=CC=C(C=C1)C(=O)C2CC2 |
| Synonym | cyclopropyl 4-methoxyphenyl methanone,cyclopropyl 4-methoxyphenyl ketone,methanone, cyclopropyl 4-methoxyphenyl,chembl82673,cyclopropyl-4-methoxyphenyl methanone,cyclopropyl-4-methoxy-phenyl-methanone,maybridge3_006117,4-methoxybenzoylcyclopropane,cyclopropyl p-anisyl ketone,methanone,cyclopropyl 4-methoxyphenyl |
| IUPAC Name | cyclopropyl-(4-methoxyphenyl)methanone |
| InChI Key | YKZSVEVTRUSPOQ-UHFFFAOYSA-N |
| Molecular Formula | C11H12O2 |
Ethyl trifluoropyruvate, 97%
CAS: 13081-18-0 Molecular Formula: C5H5F3O3 Molecular Weight (g/mol): 170.09 MDL Number: MFCD00114935 InChI Key: KJHQVUNUOIEYSV-UHFFFAOYSA-N Synonym: ethyl trifluoropyruvate,ethyltrifluoropyruvate,ethyl 3,3,3-trifluoropyruvate,trifluoropyruvic acid ethyl ester,propanoic acid, 3,3,3-trifluoro-2-oxo-, ethyl ester,ethyl 2-oxo-3,3,3-trifluoropropanoate,3,3,3-trifluoro-2-oxopropanoic acid ethyl ester,ethyl trifluorpyruvate,ethyl-trifluoropyruvate,pubchem2013 PubChem CID: 2737239 IUPAC Name: ethyl 3,3,3-trifluoro-2-oxopropanoate SMILES: CCOC(=O)C(=O)C(F)(F)F
| PubChem CID | 2737239 |
|---|---|
| CAS | 13081-18-0 |
| Molecular Weight (g/mol) | 170.09 |
| MDL Number | MFCD00114935 |
| SMILES | CCOC(=O)C(=O)C(F)(F)F |
| Synonym | ethyl trifluoropyruvate,ethyltrifluoropyruvate,ethyl 3,3,3-trifluoropyruvate,trifluoropyruvic acid ethyl ester,propanoic acid, 3,3,3-trifluoro-2-oxo-, ethyl ester,ethyl 2-oxo-3,3,3-trifluoropropanoate,3,3,3-trifluoro-2-oxopropanoic acid ethyl ester,ethyl trifluorpyruvate,ethyl-trifluoropyruvate,pubchem2013 |
| IUPAC Name | ethyl 3,3,3-trifluoro-2-oxopropanoate |
| InChI Key | KJHQVUNUOIEYSV-UHFFFAOYSA-N |
| Molecular Formula | C5H5F3O3 |
5-Fluoroisatin, 98%
CAS: 443-69-6 Molecular Formula: C8H4FNO2 Molecular Weight (g/mol): 165.123 MDL Number: MFCD00022795 InChI Key: GKODDAXOSGGARJ-UHFFFAOYSA-N Synonym: 5-fluoroisatin,5-fluoroindoline-2,3-dione,5-fluoro isatin,5-fluoro-2,3-dihydro-1h-indole-2,3-dione,5-fluoroisatine,5-fluoro-2,3-indoledione,5-fluoroindole-2,3-dione,1h-indole-2,3-dione, 5-fluoro,5-fluoro-2,3-indolinedione,5-fluoro-2,3-indolindione PubChem CID: 236566 IUPAC Name: 5-fluoro-1H-indole-2,3-dione SMILES: C1=CC2=C(C=C1F)C(=O)C(=O)N2
| PubChem CID | 236566 |
|---|---|
| CAS | 443-69-6 |
| Molecular Weight (g/mol) | 165.123 |
| MDL Number | MFCD00022795 |
| SMILES | C1=CC2=C(C=C1F)C(=O)C(=O)N2 |
| Synonym | 5-fluoroisatin,5-fluoroindoline-2,3-dione,5-fluoro isatin,5-fluoro-2,3-dihydro-1h-indole-2,3-dione,5-fluoroisatine,5-fluoro-2,3-indoledione,5-fluoroindole-2,3-dione,1h-indole-2,3-dione, 5-fluoro,5-fluoro-2,3-indolinedione,5-fluoro-2,3-indolindione |
| IUPAC Name | 5-fluoro-1H-indole-2,3-dione |
| InChI Key | GKODDAXOSGGARJ-UHFFFAOYSA-N |
| Molecular Formula | C8H4FNO2 |
2'-Chloroacetophenone, 97%
CAS: 2142-68-9 Molecular Formula: C8H7ClO Molecular Weight (g/mol): 154.6 MDL Number: MFCD00000560 InChI Key: ZDOYHCIRUPHUHN-UHFFFAOYSA-N Synonym: 2'-chloroacetophenone,1-2-chlorophenyl ethanone,o-chloroacetophenone,1-2-chlorophenyl ethan-1-one,ethanone, 1-2-chlorophenyl,acetophenone, 2'-chloro,o-chloroacetophonone,1-2-chloro-phenyl-ethanone,ethanone, 1-chlorophenyl,1-acetyl-2-chlorobenzene PubChem CID: 72864 IUPAC Name: 1-(2-chlorophenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1Cl
| PubChem CID | 72864 |
|---|---|
| CAS | 2142-68-9 |
| Molecular Weight (g/mol) | 154.6 |
| MDL Number | MFCD00000560 |
| SMILES | CC(=O)C1=CC=CC=C1Cl |
| Synonym | 2'-chloroacetophenone,1-2-chlorophenyl ethanone,o-chloroacetophenone,1-2-chlorophenyl ethan-1-one,ethanone, 1-2-chlorophenyl,acetophenone, 2'-chloro,o-chloroacetophonone,1-2-chloro-phenyl-ethanone,ethanone, 1-chlorophenyl,1-acetyl-2-chlorobenzene |
| IUPAC Name | 1-(2-chlorophenyl)ethanone |
| InChI Key | ZDOYHCIRUPHUHN-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO |
3',5'-Dihydroxyacetophenone, 97%
CAS: 51863-60-6 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002290 InChI Key: WQXWIKCZNIGMAP-UHFFFAOYSA-N Synonym: 3',5'-dihydroxyacetophenone,1-3,5-dihydroxyphenyl ethanone,3,5-dihydroxyacetophenone,5-acetylresorcinol,1-3,5-dihydroxyphenyl ethan-1-one,unii-kp7r433nnr,ethanone, 1-3,5-dihydroxyphenyl,kp7r433nnr,1-acetyl-3,5-dihydroxybenzene,1-3,5-dihydroxyphenyl-ethanone PubChem CID: 103993 IUPAC Name: 1-(3,5-dihydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC(=C1)O)O
| PubChem CID | 103993 |
|---|---|
| CAS | 51863-60-6 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00002290 |
| SMILES | CC(=O)C1=CC(=CC(=C1)O)O |
| Synonym | 3',5'-dihydroxyacetophenone,1-3,5-dihydroxyphenyl ethanone,3,5-dihydroxyacetophenone,5-acetylresorcinol,1-3,5-dihydroxyphenyl ethan-1-one,unii-kp7r433nnr,ethanone, 1-3,5-dihydroxyphenyl,kp7r433nnr,1-acetyl-3,5-dihydroxybenzene,1-3,5-dihydroxyphenyl-ethanone |
| IUPAC Name | 1-(3,5-dihydroxyphenyl)ethanone |
| InChI Key | WQXWIKCZNIGMAP-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
3,4-Dimethoxybenzaldehyde, Spectrum™ Chemical
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CAS: 120-14-9 Molecular Weight (g/mol): 166.18
| CAS | 120-14-9 |
|---|---|
| Molecular Weight (g/mol) | 166.18 |
2',6'-Difluoroacetophenone, 98%, Thermo Scientific™
CAS: 13670-99-0 Molecular Formula: C8H6F2O Molecular Weight (g/mol): 156.13 MDL Number: MFCD00000328 InChI Key: VGIIILXIQLXVLC-UHFFFAOYSA-N Synonym: 2',6'-difluoroacetophenone,1-2,6-difluorophenyl ethanone,2,6-difluoroacetophenone,1-2,6-difluorophenyl ethan-1-one,ethanone, 1-2,6-difluorophenyl,acetophenone, 2',6'-difluoro,1-acetyl-2,6-difluorobenzene,fr cf bv1,pubchem4218,intermediates-zcf02054 PubChem CID: 83643 IUPAC Name: 1-(2,6-difluorophenyl)ethanone SMILES: CC(=O)C1=C(F)C=CC=C1F
| PubChem CID | 83643 |
|---|---|
| CAS | 13670-99-0 |
| Molecular Weight (g/mol) | 156.13 |
| MDL Number | MFCD00000328 |
| SMILES | CC(=O)C1=C(F)C=CC=C1F |
| Synonym | 2',6'-difluoroacetophenone,1-2,6-difluorophenyl ethanone,2,6-difluoroacetophenone,1-2,6-difluorophenyl ethan-1-one,ethanone, 1-2,6-difluorophenyl,acetophenone, 2',6'-difluoro,1-acetyl-2,6-difluorobenzene,fr cf bv1,pubchem4218,intermediates-zcf02054 |
| IUPAC Name | 1-(2,6-difluorophenyl)ethanone |
| InChI Key | VGIIILXIQLXVLC-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O |
3,5-Di-tert-butyl-4-hydroxybenzaldehyde, 97%, Thermo Scientific Chemicals
CAS: 1620-98-0 MDL Number: MFCD00008826 InChI Key: DOZRDZLFLOODMB-UHFFFAOYSA-N Synonym: 3,5-di-tert-butyl-4-hydroxybenzaldehyde,3,5-di-t-butyl-4-hydroxybenzaldehyde,unii-95vti93vul,benzaldehyde, 3,5-bis 1,1-dimethylethyl-4-hydroxy,benzaldehyde, 3,5-di-tert-butyl-4-hydroxy,95vti93vul,3,5-ditert-butyl-4-hydroxy-benzaldehyde,3,5-di tert-butyl-4-hydroxybenzaldehyde,3,5-di-tert-butyl-4-hydroxy-benzaldehyde,3,5-bis tert-butyl-4-hydroxybenzaldehyde PubChem CID: 73219 IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzaldehyde SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=O
| PubChem CID | 73219 |
|---|---|
| CAS | 1620-98-0 |
| MDL Number | MFCD00008826 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=O |
| Synonym | 3,5-di-tert-butyl-4-hydroxybenzaldehyde,3,5-di-t-butyl-4-hydroxybenzaldehyde,unii-95vti93vul,benzaldehyde, 3,5-bis 1,1-dimethylethyl-4-hydroxy,benzaldehyde, 3,5-di-tert-butyl-4-hydroxy,95vti93vul,3,5-ditert-butyl-4-hydroxy-benzaldehyde,3,5-di tert-butyl-4-hydroxybenzaldehyde,3,5-di-tert-butyl-4-hydroxy-benzaldehyde,3,5-bis tert-butyl-4-hydroxybenzaldehyde |
| IUPAC Name | 3,5-ditert-butyl-4-hydroxybenzaldehyde |
| InChI Key | DOZRDZLFLOODMB-UHFFFAOYSA-N |
Ethyl 2-oxocyclohexanecarboxylate, 95%
CAS: 1655-07-8 Molecular Formula: C9H14O3 Molecular Weight (g/mol): 170.21 MDL Number: MFCD00001631 InChI Key: FGSGHBPKHFDJOP-UHFFFAOYNA-N Synonym: ethyl 2-oxocyclohexanecarboxylate,ethyl 2-cyclohexanonecarboxylate,2-carbethoxycyclohexanone,ethyl cyclohexanone-2-carboxylate,cyclohexanecarboxylic acid, 2-oxo-, ethyl ester,2-ethoxycarbonyl cyclohexanone,2-cyclohexanonecarboxylic acid ethyl ester,2-oxocyclohexanecarboxylic acid ethyl ester,ethyl 2-oxo-1-cyclohexanecarboxylate,ethyl 2-oxocylohexanecarboxylate PubChem CID: 95543 IUPAC Name: ethyl 2-oxocyclohexane-1-carboxylate SMILES: CCOC(=O)C1CCCCC1=O
| PubChem CID | 95543 |
|---|---|
| CAS | 1655-07-8 |
| Molecular Weight (g/mol) | 170.21 |
| MDL Number | MFCD00001631 |
| SMILES | CCOC(=O)C1CCCCC1=O |
| Synonym | ethyl 2-oxocyclohexanecarboxylate,ethyl 2-cyclohexanonecarboxylate,2-carbethoxycyclohexanone,ethyl cyclohexanone-2-carboxylate,cyclohexanecarboxylic acid, 2-oxo-, ethyl ester,2-ethoxycarbonyl cyclohexanone,2-cyclohexanonecarboxylic acid ethyl ester,2-oxocyclohexanecarboxylic acid ethyl ester,ethyl 2-oxo-1-cyclohexanecarboxylate,ethyl 2-oxocylohexanecarboxylate |
| IUPAC Name | ethyl 2-oxocyclohexane-1-carboxylate |
| InChI Key | FGSGHBPKHFDJOP-UHFFFAOYNA-N |
| Molecular Formula | C9H14O3 |