
Organooxygen compounds
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Methyl 4-chloroacetoacetate, 97%
CAS: 32807-28-6 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.56 MDL Number: MFCD00000938 InChI Key: HFLMYYLFSNEOOT-UHFFFAOYSA-N Synonym: methyl 4-chloroacetoacetate,methyl 4-chloro-3-oxo-butanoate,butanoic acid, 4-chloro-3-oxo-, methyl ester,4-chloroacetoacetic acid methyl ester,methyl 4-chloro-3-oxobutyrate,methyl gamma-chloroacetoacetate,methyl-4-chloroacetoacetate,acetoacetic acid, 4-chloro-, methyl ester,4-chloroacetonacetic acid nethyl ester,pubchem11042 PubChem CID: 36240 IUPAC Name: methyl 4-chloro-3-oxobutanoate SMILES: COC(=O)CC(=O)CCl
PubChem CID | 36240 |
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CAS | 32807-28-6 |
Molecular Weight (g/mol) | 150.56 |
MDL Number | MFCD00000938 |
SMILES | COC(=O)CC(=O)CCl |
Synonym | methyl 4-chloroacetoacetate,methyl 4-chloro-3-oxo-butanoate,butanoic acid, 4-chloro-3-oxo-, methyl ester,4-chloroacetoacetic acid methyl ester,methyl 4-chloro-3-oxobutyrate,methyl gamma-chloroacetoacetate,methyl-4-chloroacetoacetate,acetoacetic acid, 4-chloro-, methyl ester,4-chloroacetonacetic acid nethyl ester,pubchem11042 |
IUPAC Name | methyl 4-chloro-3-oxobutanoate |
InChI Key | HFLMYYLFSNEOOT-UHFFFAOYSA-N |
Molecular Formula | C5H7ClO3 |
1,3-Benzothiazole-6-carboxaldehyde, 97%
CAS: 19989-67-4 Molecular Formula: C8H5NOS Molecular Weight (g/mol): 163.2 InChI Key: AVSFPLJXSHRMHM-UHFFFAOYSA-N Synonym: 6-benzothiazolecarboxaldehyde,benzo d thiazole-6-carbaldehyde,1,3-benzothiazole-6-carboxaldehyde,6-formylbenzothiazole,benzothiazol-6-carboxaldehyde,6-benzothiazolecarbaldehyde,1?3-benzothiazole-6-carboxaldehyde,6-benzo d thiazolecarboxaldehyde,6-benzothiazolecarboxaldehyde 8ci,9ci PubChem CID: 15089709 IUPAC Name: 1,3-benzothiazole-6-carbaldehyde SMILES: C1=CC2=C(C=C1C=O)SC=N2
PubChem CID | 15089709 |
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CAS | 19989-67-4 |
Molecular Weight (g/mol) | 163.2 |
SMILES | C1=CC2=C(C=C1C=O)SC=N2 |
Synonym | 6-benzothiazolecarboxaldehyde,benzo d thiazole-6-carbaldehyde,1,3-benzothiazole-6-carboxaldehyde,6-formylbenzothiazole,benzothiazol-6-carboxaldehyde,6-benzothiazolecarbaldehyde,1?3-benzothiazole-6-carboxaldehyde,6-benzo d thiazolecarboxaldehyde,6-benzothiazolecarboxaldehyde 8ci,9ci |
IUPAC Name | 1,3-benzothiazole-6-carbaldehyde |
InChI Key | AVSFPLJXSHRMHM-UHFFFAOYSA-N |
Molecular Formula | C8H5NOS |
DL-sec-Phenethyl alcohol, 97%
CAS: 98-85-1 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00004508 InChI Key: WAPNOHKVXSQRPX-UHFFFAOYSA-N Synonym: methylphenyl carbinol,1-phenylethan-1-ol,alpha-methylbenzyl alcohol,styralyl alcohol,1-phenethyl alcohol,styrallyl alcohol,methylphenylcarbinol,1-phenylethyl alcohol,phenylmethylcarbinol,1-hydroxyethyl benzene PubChem CID: 7409 ChEBI: CHEBI:669 IUPAC Name: 1-phenylethanol SMILES: CC(C1=CC=CC=C1)O
PubChem CID | 7409 |
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CAS | 98-85-1 |
Molecular Weight (g/mol) | 122.17 |
ChEBI | CHEBI:669 |
MDL Number | MFCD00004508 |
SMILES | CC(C1=CC=CC=C1)O |
Synonym | methylphenyl carbinol,1-phenylethan-1-ol,alpha-methylbenzyl alcohol,styralyl alcohol,1-phenethyl alcohol,styrallyl alcohol,methylphenylcarbinol,1-phenylethyl alcohol,phenylmethylcarbinol,1-hydroxyethyl benzene |
IUPAC Name | 1-phenylethanol |
InChI Key | WAPNOHKVXSQRPX-UHFFFAOYSA-N |
Molecular Formula | C8H10O |
Acetylacetonatobis(ethylene)rhodium(I), 99%
CAS: 12082-47-2 Molecular Formula: C9H15O2Rh Molecular Weight (g/mol): 258.12 MDL Number: MFCD00015354 InChI Key: FLRBEQQDEGBCJS-FGSKAQBVSA-M Synonym: acetylacetonatobis ethylene rhodium i,bis ethylene 2,4-pentanedionato rhodium i,acetylacetonatobis ethylene rhodium,ethylene; z-4-oxopent-2-en-2-olate; rhodium PubChem CID: 11630270 IUPAC Name: ethene;(Z)-4-oxopent-2-en-2-olate;rhodium SMILES: [Rh+].C=C.C=C.C\C([O-])=C\C(C)=O
PubChem CID | 11630270 |
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CAS | 12082-47-2 |
Molecular Weight (g/mol) | 258.12 |
MDL Number | MFCD00015354 |
SMILES | [Rh+].C=C.C=C.C\C([O-])=C\C(C)=O |
Synonym | acetylacetonatobis ethylene rhodium i,bis ethylene 2,4-pentanedionato rhodium i,acetylacetonatobis ethylene rhodium,ethylene; z-4-oxopent-2-en-2-olate; rhodium |
IUPAC Name | ethene;(Z)-4-oxopent-2-en-2-olate;rhodium |
InChI Key | FLRBEQQDEGBCJS-FGSKAQBVSA-M |
Molecular Formula | C9H15O2Rh |
2-Bromo-3-pyridinecarboxaldehyde, 96%
CAS: 128071-75-0 Molecular Formula: C6H4BrNO Molecular Weight (g/mol): 186 MDL Number: MFCD04966945 InChI Key: GNFWMEFWZWXLIN-UHFFFAOYSA-N Synonym: 2-bromonicotinaldehyde,2-bromo-3-formylpyridine,2-bromo-3-pyridinecarboxaldehyde,2-bromopyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 2-bromo,pubchem5057,acmc-1bypv,2-bromo-3-formyl pyridine,bromo-3-pyridine carbaldehyde,bromo-3-pyridinecarboxaldehyde PubChem CID: 4714951 IUPAC Name: 2-bromopyridine-3-carbaldehyde SMILES: C1=CC(=C(N=C1)Br)C=O
PubChem CID | 4714951 |
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CAS | 128071-75-0 |
Molecular Weight (g/mol) | 186 |
MDL Number | MFCD04966945 |
SMILES | C1=CC(=C(N=C1)Br)C=O |
Synonym | 2-bromonicotinaldehyde,2-bromo-3-formylpyridine,2-bromo-3-pyridinecarboxaldehyde,2-bromopyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 2-bromo,pubchem5057,acmc-1bypv,2-bromo-3-formyl pyridine,bromo-3-pyridine carbaldehyde,bromo-3-pyridinecarboxaldehyde |
IUPAC Name | 2-bromopyridine-3-carbaldehyde |
InChI Key | GNFWMEFWZWXLIN-UHFFFAOYSA-N |
Molecular Formula | C6H4BrNO |
2-Bromo-2-phenylacetophenone, 97%
CAS: 1484-50-0 Molecular Formula: C14H11BrO Molecular Weight (g/mol): 275.13 MDL Number: MFCD00000136 InChI Key: ZFFBIQMNKOJDJE-UHFFFAOYSA-N PubChem CID: 102630 IUPAC Name: 2-bromo-1,2-diphenylethanone SMILES: C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)Br
PubChem CID | 102630 |
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CAS | 1484-50-0 |
Molecular Weight (g/mol) | 275.13 |
MDL Number | MFCD00000136 |
SMILES | C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)Br |
IUPAC Name | 2-bromo-1,2-diphenylethanone |
InChI Key | ZFFBIQMNKOJDJE-UHFFFAOYSA-N |
Molecular Formula | C14H11BrO |
Methyl malonyl chloride, 97%
CAS: 37517-81-0 Molecular Formula: C4H5ClO3 Molecular Weight (g/mol): 136.53 MDL Number: MFCD00013657 InChI Key: UTBCRHAMJFMIIR-UHFFFAOYSA-N PubChem CID: 123460 IUPAC Name: methyl 3-chloro-3-oxopropanoate SMILES: COC(=O)CC(=O)Cl
PubChem CID | 123460 |
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CAS | 37517-81-0 |
Molecular Weight (g/mol) | 136.53 |
MDL Number | MFCD00013657 |
SMILES | COC(=O)CC(=O)Cl |
IUPAC Name | methyl 3-chloro-3-oxopropanoate |
InChI Key | UTBCRHAMJFMIIR-UHFFFAOYSA-N |
Molecular Formula | C4H5ClO3 |
Bromoacetaldehyde dimethyl acetal, 97+%, stab. with potassium carbonate
CAS: 7252-83-7 Molecular Formula: C4H9BrO2 Molecular Weight (g/mol): 169.018 MDL Number: MFCD00000213 InChI Key: FUSFWUFSEJXMRQ-UHFFFAOYSA-N Synonym: bromoacetaldehyde dimethyl acetal,ethane, 2-bromo-1,1-dimethoxy,2,2-dimethoxyethyl bromide,dimethylbromoacetal,1-bromo-2,2-dimethoxyethane,2,2-dimethoxybromoethane,2-bromoacetaldehyde dimethyl acetal,bromoacetoaldehyde dimethyl acetal,bromoacetaldehyde dimethylacetal,acetaldehyde, bromo-, dimethyl acetal PubChem CID: 81672 IUPAC Name: 2-bromo-1,1-dimethoxyethane SMILES: COC(CBr)OC
PubChem CID | 81672 |
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CAS | 7252-83-7 |
Molecular Weight (g/mol) | 169.018 |
MDL Number | MFCD00000213 |
SMILES | COC(CBr)OC |
Synonym | bromoacetaldehyde dimethyl acetal,ethane, 2-bromo-1,1-dimethoxy,2,2-dimethoxyethyl bromide,dimethylbromoacetal,1-bromo-2,2-dimethoxyethane,2,2-dimethoxybromoethane,2-bromoacetaldehyde dimethyl acetal,bromoacetoaldehyde dimethyl acetal,bromoacetaldehyde dimethylacetal,acetaldehyde, bromo-, dimethyl acetal |
IUPAC Name | 2-bromo-1,1-dimethoxyethane |
InChI Key | FUSFWUFSEJXMRQ-UHFFFAOYSA-N |
Molecular Formula | C4H9BrO2 |
Butyrophenone, 99%
CAS: 495-40-9 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00009397 InChI Key: FFSAXUULYPJSKH-UHFFFAOYSA-N Synonym: butyrophenone,n-butyrophenone,1-butanone, 1-phenyl,phenyl propyl ketone,1-phenyl-1-butanone,propyl phenyl ketone,unii-186i11wb5b,1-phenyl-butan-1-one,propylphenylketone PubChem CID: 10315 IUPAC Name: 1-phenylbutan-1-one SMILES: CCCC(=O)C1=CC=CC=C1
PubChem CID | 10315 |
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CAS | 495-40-9 |
Molecular Weight (g/mol) | 148.205 |
MDL Number | MFCD00009397 |
SMILES | CCCC(=O)C1=CC=CC=C1 |
Synonym | butyrophenone,n-butyrophenone,1-butanone, 1-phenyl,phenyl propyl ketone,1-phenyl-1-butanone,propyl phenyl ketone,unii-186i11wb5b,1-phenyl-butan-1-one,propylphenylketone |
IUPAC Name | 1-phenylbutan-1-one |
InChI Key | FFSAXUULYPJSKH-UHFFFAOYSA-N |
Molecular Formula | C10H12O |
trans-2-Hexenal, 96%
CAS: 6728-26-3 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.145 MDL Number: MFCD00007008 InChI Key: MBDOYVRWFFCFHM-SNAWJCMRSA-N Synonym: trans-2-hexenal,2-hexenal,leaf aldehyde,e-2-hexenal,e-hex-2-enal,2-trans-hexenal,beta-propyl acrolein,hexylenic aldehyde,hex-2-en-1-al,2-hexenal, e PubChem CID: 5281168 ChEBI: CHEBI:28913 IUPAC Name: (E)-hex-2-enal SMILES: CCCC=CC=O
PubChem CID | 5281168 |
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CAS | 6728-26-3 |
Molecular Weight (g/mol) | 98.145 |
ChEBI | CHEBI:28913 |
MDL Number | MFCD00007008 |
SMILES | CCCC=CC=O |
Synonym | trans-2-hexenal,2-hexenal,leaf aldehyde,e-2-hexenal,e-hex-2-enal,2-trans-hexenal,beta-propyl acrolein,hexylenic aldehyde,hex-2-en-1-al,2-hexenal, e |
IUPAC Name | (E)-hex-2-enal |
InChI Key | MBDOYVRWFFCFHM-SNAWJCMRSA-N |
Molecular Formula | C6H10O |
2',4',6'-Trimethylacetophenone, 97+%
CAS: 1667-01-2 Molecular Formula: C11H14O Molecular Weight (g/mol): 162.23 MDL Number: MFCD00008735 InChI Key: XWCIICLTKWRWCI-UHFFFAOYSA-N Synonym: 1-mesitylethanone,2',4',6'-trimethylacetophenone,acetylmesitylene,acetomesitylene,mesityl methyl ketone,1-2,4,6-trimethylphenyl ethanone,ethanone, 1-2,4,6-trimethylphenyl,2-acetylmesitylene,2,4,6-trimethylacetophenone,methyl 2,4,6-trimethylphenyl ketone PubChem CID: 15461 IUPAC Name: 1-(2,4,6-trimethylphenyl)ethanone SMILES: CC(=O)C1=C(C)C=C(C)C=C1C
PubChem CID | 15461 |
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CAS | 1667-01-2 |
Molecular Weight (g/mol) | 162.23 |
MDL Number | MFCD00008735 |
SMILES | CC(=O)C1=C(C)C=C(C)C=C1C |
Synonym | 1-mesitylethanone,2',4',6'-trimethylacetophenone,acetylmesitylene,acetomesitylene,mesityl methyl ketone,1-2,4,6-trimethylphenyl ethanone,ethanone, 1-2,4,6-trimethylphenyl,2-acetylmesitylene,2,4,6-trimethylacetophenone,methyl 2,4,6-trimethylphenyl ketone |
IUPAC Name | 1-(2,4,6-trimethylphenyl)ethanone |
InChI Key | XWCIICLTKWRWCI-UHFFFAOYSA-N |
Molecular Formula | C11H14O |
Ethyl 2-methylacetoacetate, 95%
CAS: 609-14-3 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009164 InChI Key: FNENWZWNOPCZGK-UHFFFAOYSA-N Synonym: ethyl 2-methylacetoacetate,ethyl 2-acetylpropionate,ethyl-2-methyl acetoacetate,ethyl methylacetoacetate,ethyl 2-methyl-3-oxobutyrate,ethyl2-methylacetoacetate,butanoic acid, 2-methyl-3-oxo-, ethyl ester,2-methylacetoacetic acid ethyl ester,ethyl alpha-methylacetylacetate,2-methyl-3-oxobutanoic acid ethyl ester PubChem CID: 701 IUPAC Name: ethyl 2-methyl-3-oxobutanoate SMILES: CCOC(=O)C(C)C(=O)C
PubChem CID | 701 |
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CAS | 609-14-3 |
Molecular Weight (g/mol) | 144.17 |
MDL Number | MFCD00009164 |
SMILES | CCOC(=O)C(C)C(=O)C |
Synonym | ethyl 2-methylacetoacetate,ethyl 2-acetylpropionate,ethyl-2-methyl acetoacetate,ethyl methylacetoacetate,ethyl 2-methyl-3-oxobutyrate,ethyl2-methylacetoacetate,butanoic acid, 2-methyl-3-oxo-, ethyl ester,2-methylacetoacetic acid ethyl ester,ethyl alpha-methylacetylacetate,2-methyl-3-oxobutanoic acid ethyl ester |
IUPAC Name | ethyl 2-methyl-3-oxobutanoate |
InChI Key | FNENWZWNOPCZGK-UHFFFAOYSA-N |
Molecular Formula | C7H12O3 |
4'-Methoxybutyrophenone, 97%
CAS: 4160-51-4 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.23 MDL Number: MFCD00027138 InChI Key: JLCDSZXBELPBRD-UHFFFAOYSA-N Synonym: 4'-methoxybutyrophenone,1-4-methoxyphenyl butan-1-one,p-methoxybutyrophenone,4-methoxybutyrophenone,1-butanone, 1-4-methoxyphenyl,butyrophenone, 4'-methoxy,1-4-methoxyphenyl-1-butanone,4-butyrylanisole,acmc-209jkw,4'-methoxy-butyrophenone PubChem CID: 77810 IUPAC Name: 1-(4-methoxyphenyl)butan-1-one SMILES: CCCC(=O)C1=CC=C(OC)C=C1
PubChem CID | 77810 |
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CAS | 4160-51-4 |
Molecular Weight (g/mol) | 178.23 |
MDL Number | MFCD00027138 |
SMILES | CCCC(=O)C1=CC=C(OC)C=C1 |
Synonym | 4'-methoxybutyrophenone,1-4-methoxyphenyl butan-1-one,p-methoxybutyrophenone,4-methoxybutyrophenone,1-butanone, 1-4-methoxyphenyl,butyrophenone, 4'-methoxy,1-4-methoxyphenyl-1-butanone,4-butyrylanisole,acmc-209jkw,4'-methoxy-butyrophenone |
IUPAC Name | 1-(4-methoxyphenyl)butan-1-one |
InChI Key | JLCDSZXBELPBRD-UHFFFAOYSA-N |
Molecular Formula | C11H14O2 |
2-Acetyl-5-chlorothiophene, 99%
CAS: 6310-09-4 Molecular Formula: C6H5ClOS Molecular Weight (g/mol): 160.62 MDL Number: MFCD00005444 InChI Key: HTZGPEHWQCRXGZ-UHFFFAOYSA-N Synonym: 2-acetyl-5-chlorothiophene,1-5-chlorothiophen-2-yl ethanone,1-5-chloro-2-thienyl ethanone,5-chloro-2-acetylthiophene,ethanone, 1-5-chloro-2-thienyl,5-chlor-2-acetyl thiophen,ketone, 5-chloro-2-thienyl methyl,1-5-chlorothiophen-2-yl ethan-1-one,5-chloro-2-thienyl methyl ketone,2-chloro-5-acetylthiophene PubChem CID: 80572 IUPAC Name: 1-(5-chlorothiophen-2-yl)ethanone SMILES: CC(=O)C1=CC=C(S1)Cl
PubChem CID | 80572 |
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CAS | 6310-09-4 |
Molecular Weight (g/mol) | 160.62 |
MDL Number | MFCD00005444 |
SMILES | CC(=O)C1=CC=C(S1)Cl |
Synonym | 2-acetyl-5-chlorothiophene,1-5-chlorothiophen-2-yl ethanone,1-5-chloro-2-thienyl ethanone,5-chloro-2-acetylthiophene,ethanone, 1-5-chloro-2-thienyl,5-chlor-2-acetyl thiophen,ketone, 5-chloro-2-thienyl methyl,1-5-chlorothiophen-2-yl ethan-1-one,5-chloro-2-thienyl methyl ketone,2-chloro-5-acetylthiophene |
IUPAC Name | 1-(5-chlorothiophen-2-yl)ethanone |
InChI Key | HTZGPEHWQCRXGZ-UHFFFAOYSA-N |
Molecular Formula | C6H5ClOS |
1,1,1-Trifluoro-2-butanone, 96%
CAS: 381-88-4 Molecular Formula: C4H5F3O Molecular Weight (g/mol): 126.08 MDL Number: MFCD00190641 InChI Key: QBVHMPFSDVNFAY-UHFFFAOYSA-N Synonym: 1,1,1-trifluoro-2-butanone,1,1,1-trifluorobutane-2-one,2-butanone, 1,1,1-trifluoro,1,1,1-trifluoromethyl ethyl ketone,trifluoro-2-butanone,acmc-20ap8w,trifluoromethylethylketone,ethyl trifluoromethyl ketone,trifluoromethyl ethyl ketone,1,1-trifluoro-2-butanone PubChem CID: 238288 IUPAC Name: 1,1,1-trifluorobutan-2-one SMILES: CCC(=O)C(F)(F)F
PubChem CID | 238288 |
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CAS | 381-88-4 |
Molecular Weight (g/mol) | 126.08 |
MDL Number | MFCD00190641 |
SMILES | CCC(=O)C(F)(F)F |
Synonym | 1,1,1-trifluoro-2-butanone,1,1,1-trifluorobutane-2-one,2-butanone, 1,1,1-trifluoro,1,1,1-trifluoromethyl ethyl ketone,trifluoro-2-butanone,acmc-20ap8w,trifluoromethylethylketone,ethyl trifluoromethyl ketone,trifluoromethyl ethyl ketone,1,1-trifluoro-2-butanone |
IUPAC Name | 1,1,1-trifluorobutan-2-one |
InChI Key | QBVHMPFSDVNFAY-UHFFFAOYSA-N |
Molecular Formula | C4H5F3O |