Organooxygen compounds
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tert.-Butyl methyl malonate, 95%
CAS: 42726-73-8 Molecular Formula: C8H14O4 Molecular Weight (g/mol): 174.2 MDL Number: MFCD00042856 InChI Key: XPSYZCWYRWHVCC-UHFFFAOYSA-N Synonym: tert-butyl methyl malonate,t-butyl methyl malonate,1-tert-butyl 3-methyl propanedioate,acmc-20ajkv,tert-butyl methylmalote,pubchem20476,methyl tert-butyl malonate,ksc493c8h,tert-butyl methyl malonaoate PubChem CID: 2733872 IUPAC Name: 3-O-tert-butyl 1-O-methyl propanedioate SMILES: CC(C)(C)OC(=O)CC(=O)OC
| PubChem CID | 2733872 |
|---|---|
| CAS | 42726-73-8 |
| Molecular Weight (g/mol) | 174.2 |
| MDL Number | MFCD00042856 |
| SMILES | CC(C)(C)OC(=O)CC(=O)OC |
| Synonym | tert-butyl methyl malonate,t-butyl methyl malonate,1-tert-butyl 3-methyl propanedioate,acmc-20ajkv,tert-butyl methylmalote,pubchem20476,methyl tert-butyl malonate,ksc493c8h,tert-butyl methyl malonaoate |
| IUPAC Name | 3-O-tert-butyl 1-O-methyl propanedioate |
| InChI Key | XPSYZCWYRWHVCC-UHFFFAOYSA-N |
| Molecular Formula | C8H14O4 |
Benzyl chloromethyl ether, 75%
CAS: 3587-60-8 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.61 MDL Number: MFCD00000886 InChI Key: LADPCMZCENPFGV-UHFFFAOYSA-N Synonym: benzyl chloromethyl ether,chloromethoxymethyl benzene,chloromethoxy methyl benzene,benzyloxymethyl chloride,chloromethoxymethyl-benzene,benzyl chloromethylether,benzene, chloromethoxy methyl PubChem CID: 137983 IUPAC Name: chloromethoxymethylbenzene SMILES: C1=CC=C(C=C1)COCCl
| PubChem CID | 137983 |
|---|---|
| CAS | 3587-60-8 |
| Molecular Weight (g/mol) | 156.61 |
| MDL Number | MFCD00000886 |
| SMILES | C1=CC=C(C=C1)COCCl |
| Synonym | benzyl chloromethyl ether,chloromethoxymethyl benzene,chloromethoxy methyl benzene,benzyloxymethyl chloride,chloromethoxymethyl-benzene,benzyl chloromethylether,benzene, chloromethoxy methyl |
| IUPAC Name | chloromethoxymethylbenzene |
| InChI Key | LADPCMZCENPFGV-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClO |
2,4'-Dibromopropiophenone, 98%, Thermo Scientific™
CAS: 38786-67-3 Molecular Formula: C9H8Br2O Molecular Weight (g/mol): 291.97 MDL Number: MFCD00209571 InChI Key: GKALOSTUZMFUQB-LURJTMIESA-N PubChem CID: 603907 IUPAC Name: 2-bromo-1-(4-bromophenyl)propan-1-one SMILES: C[C@H](Br)C(=O)C1=CC=C(Br)C=C1
| PubChem CID | 603907 |
|---|---|
| CAS | 38786-67-3 |
| Molecular Weight (g/mol) | 291.97 |
| MDL Number | MFCD00209571 |
| SMILES | C[C@H](Br)C(=O)C1=CC=C(Br)C=C1 |
| IUPAC Name | 2-bromo-1-(4-bromophenyl)propan-1-one |
| InChI Key | GKALOSTUZMFUQB-LURJTMIESA-N |
| Molecular Formula | C9H8Br2O |
2-Bromo-4'-chloroacetophenone, 98%
CAS: 536-38-9 Molecular Formula: C8H6BrClO Molecular Weight (g/mol): 233.489 MDL Number: MFCD00000625 InChI Key: FLAYZKKEOIAALB-UHFFFAOYSA-N Synonym: 2-bromo-4'-chloroacetophenone,2-bromo-1-4-chlorophenyl ethanone,4-chlorophenacyl bromide,p-chlorophenacyl bromide,2-bromo-1-4-chlorophenyl ethan-1-one,ethanone, 2-bromo-1-4-chlorophenyl,4'-chlorophenacyl bromide,2-bromo-p-chloroacetophenone,p-bromoacetyl chlorobenzene,4'-chloro-2-bromoacetophenone PubChem CID: 68303 IUPAC Name: 2-bromo-1-(4-chlorophenyl)ethanone SMILES: C1=CC(=CC=C1C(=O)CBr)Cl
| PubChem CID | 68303 |
|---|---|
| CAS | 536-38-9 |
| Molecular Weight (g/mol) | 233.489 |
| MDL Number | MFCD00000625 |
| SMILES | C1=CC(=CC=C1C(=O)CBr)Cl |
| Synonym | 2-bromo-4'-chloroacetophenone,2-bromo-1-4-chlorophenyl ethanone,4-chlorophenacyl bromide,p-chlorophenacyl bromide,2-bromo-1-4-chlorophenyl ethan-1-one,ethanone, 2-bromo-1-4-chlorophenyl,4'-chlorophenacyl bromide,2-bromo-p-chloroacetophenone,p-bromoacetyl chlorobenzene,4'-chloro-2-bromoacetophenone |
| IUPAC Name | 2-bromo-1-(4-chlorophenyl)ethanone |
| InChI Key | FLAYZKKEOIAALB-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrClO |
4'-Methoxypropiophenone, 99%
CAS: 121-97-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00009310 InChI Key: ZJVAWPKTWVFKHG-UHFFFAOYSA-N PubChem CID: 67144 IUPAC Name: 1-(4-methoxyphenyl)propan-1-one SMILES: CCC(=O)C1=CC=C(C=C1)OC
| PubChem CID | 67144 |
|---|---|
| CAS | 121-97-1 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00009310 |
| SMILES | CCC(=O)C1=CC=C(C=C1)OC |
| IUPAC Name | 1-(4-methoxyphenyl)propan-1-one |
| InChI Key | ZJVAWPKTWVFKHG-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
(S)-(+)-1,3-Butanediol, 98%
CAS: 24621-61-2 Molecular Formula: C4H10O2 Molecular Weight (g/mol): 90.12 MDL Number: MFCD00064278 InChI Key: PUPZLCDOIYMWBV-BYPYZUCNSA-N Synonym: s-+-1,3-butanediol,s-butane-1,3-diol,3s-butane-1,3-diol,s-1,3-butanediol,s-+-butane-1,3-diol,1,3-butanediol, 3s,bu2,1,3-butanediol, s,pubchem6722 PubChem CID: 446973 ChEBI: CHEBI:52688 IUPAC Name: (3S)-butane-1,3-diol SMILES: CC(CCO)O
| PubChem CID | 446973 |
|---|---|
| CAS | 24621-61-2 |
| Molecular Weight (g/mol) | 90.12 |
| ChEBI | CHEBI:52688 |
| MDL Number | MFCD00064278 |
| SMILES | CC(CCO)O |
| Synonym | s-+-1,3-butanediol,s-butane-1,3-diol,3s-butane-1,3-diol,s-1,3-butanediol,s-+-butane-1,3-diol,1,3-butanediol, 3s,bu2,1,3-butanediol, s,pubchem6722 |
| IUPAC Name | (3S)-butane-1,3-diol |
| InChI Key | PUPZLCDOIYMWBV-BYPYZUCNSA-N |
| Molecular Formula | C4H10O2 |
2-Chloroethyl methyl ether, 98%
CAS: 627-42-9 Molecular Formula: C3H7ClO Molecular Weight (g/mol): 94.54 MDL Number: MFCD00000972 InChI Key: XTIGGAHUZJWQMD-UHFFFAOYSA-N Synonym: 2-chloroethyl methyl ether,2-methoxyethyl chloride,ethane, 1-chloro-2-methoxy,2-chloroethylmethylether,unii-u890tj10ym,chloro-2-methoxyethane,chloroethyl-methyl ether,1-chloro-2-methoxy-ethane,ether, 2-chloroethyl methyl PubChem CID: 12316 IUPAC Name: 1-chloro-2-methoxyethane SMILES: COCCCl
| PubChem CID | 12316 |
|---|---|
| CAS | 627-42-9 |
| Molecular Weight (g/mol) | 94.54 |
| MDL Number | MFCD00000972 |
| SMILES | COCCCl |
| Synonym | 2-chloroethyl methyl ether,2-methoxyethyl chloride,ethane, 1-chloro-2-methoxy,2-chloroethylmethylether,unii-u890tj10ym,chloro-2-methoxyethane,chloroethyl-methyl ether,1-chloro-2-methoxy-ethane,ether, 2-chloroethyl methyl |
| IUPAC Name | 1-chloro-2-methoxyethane |
| InChI Key | XTIGGAHUZJWQMD-UHFFFAOYSA-N |
| Molecular Formula | C3H7ClO |
2-Acetylpyrrole, 99%
CAS: 1072-83-9 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.13 MDL Number: MFCD00005220 InChI Key: IGJQUJNPMOYEJY-UHFFFAOYSA-N Synonym: 2-acetylpyrrole,1-1h-pyrrol-2-yl ethanone,1-1h-pyrrol-2-yl ethan-1-one,2-acetyl pyrrole,2-pyrrolylethanone,2-acetyl-1h-pyrrole,methyl pyrrol-2-yl ketone,ethanone, 1-1h-pyrrol-2-yl,2-pyrrolyl methyl ketone,ketone, methyl pyrrol-2-yl PubChem CID: 14079 ChEBI: CHEBI:59981 IUPAC Name: 1-(1H-pyrrol-2-yl)ethanone SMILES: CC(=O)C1=CC=CN1
| PubChem CID | 14079 |
|---|---|
| CAS | 1072-83-9 |
| Molecular Weight (g/mol) | 109.13 |
| ChEBI | CHEBI:59981 |
| MDL Number | MFCD00005220 |
| SMILES | CC(=O)C1=CC=CN1 |
| Synonym | 2-acetylpyrrole,1-1h-pyrrol-2-yl ethanone,1-1h-pyrrol-2-yl ethan-1-one,2-acetyl pyrrole,2-pyrrolylethanone,2-acetyl-1h-pyrrole,methyl pyrrol-2-yl ketone,ethanone, 1-1h-pyrrol-2-yl,2-pyrrolyl methyl ketone,ketone, methyl pyrrol-2-yl |
| IUPAC Name | 1-(1H-pyrrol-2-yl)ethanone |
| InChI Key | IGJQUJNPMOYEJY-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO |
4'-Iodoacetophenone, 98%
CAS: 13329-40-3 Molecular Formula: C8H7IO Molecular Weight (g/mol): 246.05 MDL Number: MFCD00045320 InChI Key: JZJWCDQGIPQBAO-UHFFFAOYSA-N Synonym: 4'-iodoacetophenone,1-4-iodophenyl ethanone,4-iodoacetophenone,1-4-iodophenyl ethan-1-one,p-iodoacetophenone,ethanone, 1-4-iodophenyl,1-4-iodo-phenyl-ethanone,1-acetyl-4-iodobenzene,4-iodo acetophenone,4;-iodoacetophenone PubChem CID: 72869 IUPAC Name: 1-(4-iodophenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)I
| PubChem CID | 72869 |
|---|---|
| CAS | 13329-40-3 |
| Molecular Weight (g/mol) | 246.05 |
| MDL Number | MFCD00045320 |
| SMILES | CC(=O)C1=CC=C(C=C1)I |
| Synonym | 4'-iodoacetophenone,1-4-iodophenyl ethanone,4-iodoacetophenone,1-4-iodophenyl ethan-1-one,p-iodoacetophenone,ethanone, 1-4-iodophenyl,1-4-iodo-phenyl-ethanone,1-acetyl-4-iodobenzene,4-iodo acetophenone,4;-iodoacetophenone |
| IUPAC Name | 1-(4-iodophenyl)ethanone |
| InChI Key | JZJWCDQGIPQBAO-UHFFFAOYSA-N |
| Molecular Formula | C8H7IO |
1-Chloro-N,N,2-trimethylpropenylamine, 98.5+%
CAS: 26189-59-3 Molecular Formula: C6H12ClN Molecular Weight (g/mol): 133.62 InChI Key: GQIRIWDEZSKOCN-UHFFFAOYSA-N Synonym: 1-chloro-n,n,2-trimethylpropenylamine,1-chloro-n,n,2-trimethyl-1-propenylamine,1-chloro-n,n,2-trimethyl-1-propen-1-amine,ghosez inverted exclamation markas reagent,1-propen-1-amine, 1-chloro-n,n,2-trimethyl,1-chloro-2-methylprop-1-en-1-yl dimethylamine,acmc-1ceik,1-chloro-1-dimethylaminoisobutene,1-chloro-2,n,n-trimethylpropenylamine,1-chloro-n,n-2-trimethylpropenylamine PubChem CID: 640792 IUPAC Name: 1-chloro-N,N,2-trimethylprop-1-en-1-amine SMILES: CC(=C(N(C)C)Cl)C
| PubChem CID | 640792 |
|---|---|
| CAS | 26189-59-3 |
| Molecular Weight (g/mol) | 133.62 |
| SMILES | CC(=C(N(C)C)Cl)C |
| Synonym | 1-chloro-n,n,2-trimethylpropenylamine,1-chloro-n,n,2-trimethyl-1-propenylamine,1-chloro-n,n,2-trimethyl-1-propen-1-amine,ghosez inverted exclamation markas reagent,1-propen-1-amine, 1-chloro-n,n,2-trimethyl,1-chloro-2-methylprop-1-en-1-yl dimethylamine,acmc-1ceik,1-chloro-1-dimethylaminoisobutene,1-chloro-2,n,n-trimethylpropenylamine,1-chloro-n,n-2-trimethylpropenylamine |
| IUPAC Name | 1-chloro-N,N,2-trimethylprop-1-en-1-amine |
| InChI Key | GQIRIWDEZSKOCN-UHFFFAOYSA-N |
| Molecular Formula | C6H12ClN |
Tripropyl orthoformate, 98%, Thermo Scientific™
CAS: 621-76-1 Molecular Formula: C10H22O3 Molecular Weight (g/mol): 190.29 MDL Number: MFCD00015214 InChI Key: RWNXXQFJBALKAX-UHFFFAOYSA-N Synonym: tripropyl orthoformate,tri-n-propyl orthoformate,orthoformic acid tripropyl ester,1-dipropoxymethoxy propane,unii-z8f0df6af9,propane, 1,1',1-methylidynetris oxy tris,z8f0df6af9,tripropoxymethane,tripropylorthoformate PubChem CID: 69311 IUPAC Name: 1-(dipropoxymethoxy)propane SMILES: CCCOC(OCCC)OCCC
| PubChem CID | 69311 |
|---|---|
| CAS | 621-76-1 |
| Molecular Weight (g/mol) | 190.29 |
| MDL Number | MFCD00015214 |
| SMILES | CCCOC(OCCC)OCCC |
| Synonym | tripropyl orthoformate,tri-n-propyl orthoformate,orthoformic acid tripropyl ester,1-dipropoxymethoxy propane,unii-z8f0df6af9,propane, 1,1',1-methylidynetris oxy tris,z8f0df6af9,tripropoxymethane,tripropylorthoformate |
| IUPAC Name | 1-(dipropoxymethoxy)propane |
| InChI Key | RWNXXQFJBALKAX-UHFFFAOYSA-N |
| Molecular Formula | C10H22O3 |
3-Hepten-2-one, 95%
CAS: 1119-44-4 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.17 MDL Number: MFCD00015564 InChI Key: JHHZQADGLDKIPM-AATRIKPKSA-N Synonym: 3-hepten-2-one,butylideneacetone,e-hept-3-en-2-one,3e-3-hepten-2-one,methyl pentenyl ketone,e-3-hepten-2-one,3-hepten-2-one, e,unii-tk02t5fjdo,tk02t5fjdo,3e-hept-3-en-2-one PubChem CID: 5364578 SMILES: CCC\C=C\C(C)=O
| PubChem CID | 5364578 |
|---|---|
| CAS | 1119-44-4 |
| Molecular Weight (g/mol) | 112.17 |
| MDL Number | MFCD00015564 |
| SMILES | CCC\C=C\C(C)=O |
| Synonym | 3-hepten-2-one,butylideneacetone,e-hept-3-en-2-one,3e-3-hepten-2-one,methyl pentenyl ketone,e-3-hepten-2-one,3-hepten-2-one, e,unii-tk02t5fjdo,tk02t5fjdo,3e-hept-3-en-2-one |
| InChI Key | JHHZQADGLDKIPM-AATRIKPKSA-N |
| Molecular Formula | C7H12O |
1-Chloro-2-methyl-2-propanol, 98%
CAS: 558-42-9 Molecular Formula: C4H9ClO Molecular Weight (g/mol): 108.57 MDL Number: MFCD00021807 InChI Key: JNOZGFXJZQXOSU-UHFFFAOYSA-N Synonym: 1-chloro-2-methyl-2-propanol,chloro-tert-butanol,2-propanol, 1-chloro-2-methyl,1-chloro-tert-butyl alcohol,2-chloro-tert-butyl alcohol,1-chloro-2-methyl-propan-2-ol,pubchem3675,1-chloro-2-isobutanol,acmc-209lpr,chloro-tert-butyl alcohol PubChem CID: 68409 IUPAC Name: 1-chloro-2-methylpropan-2-ol SMILES: CC(C)(O)CCl
| PubChem CID | 68409 |
|---|---|
| CAS | 558-42-9 |
| Molecular Weight (g/mol) | 108.57 |
| MDL Number | MFCD00021807 |
| SMILES | CC(C)(O)CCl |
| Synonym | 1-chloro-2-methyl-2-propanol,chloro-tert-butanol,2-propanol, 1-chloro-2-methyl,1-chloro-tert-butyl alcohol,2-chloro-tert-butyl alcohol,1-chloro-2-methyl-propan-2-ol,pubchem3675,1-chloro-2-isobutanol,acmc-209lpr,chloro-tert-butyl alcohol |
| IUPAC Name | 1-chloro-2-methylpropan-2-ol |
| InChI Key | JNOZGFXJZQXOSU-UHFFFAOYSA-N |
| Molecular Formula | C4H9ClO |
4-Nitrobenzo-18-crown-6, 99%
CAS: 53408-96-1 Molecular Formula: C16H23NO8 Molecular Weight (g/mol): 357.359 MDL Number: MFCD00143207 InChI Key: LQXOKBZWNFJJGI-UHFFFAOYSA-N Synonym: 4-nitrobenzo-18-crown-6,4'-nitrobenzo-18-crown 6-ether,nitrobenzo-18-crown-6,18-nitro-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine,20-nitro-2,5,8,11,14,17-hexaoxabicyclo 16.4.0 docosa-1 18 ,19,21-triene,4'-nitrobenzo-18-crown-6,lqxokbzwnfjjgi-uhfffaoysa,2,3-4-nitrobenzo-1,4,7,10,13,16-hexaoxacycloocta,2,3-4-nitrobenzo-1,4,7,10,13,16-hexaoxacyclooctadec-2-ene PubChem CID: 602198 IUPAC Name: 20-nitro-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene SMILES: C1COCCOCCOC2=C(C=CC(=C2)[N+](=O)[O-])OCCOCCO1
| PubChem CID | 602198 |
|---|---|
| CAS | 53408-96-1 |
| Molecular Weight (g/mol) | 357.359 |
| MDL Number | MFCD00143207 |
| SMILES | C1COCCOCCOC2=C(C=CC(=C2)[N+](=O)[O-])OCCOCCO1 |
| Synonym | 4-nitrobenzo-18-crown-6,4'-nitrobenzo-18-crown 6-ether,nitrobenzo-18-crown-6,18-nitro-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine,20-nitro-2,5,8,11,14,17-hexaoxabicyclo 16.4.0 docosa-1 18 ,19,21-triene,4'-nitrobenzo-18-crown-6,lqxokbzwnfjjgi-uhfffaoysa,2,3-4-nitrobenzo-1,4,7,10,13,16-hexaoxacycloocta,2,3-4-nitrobenzo-1,4,7,10,13,16-hexaoxacyclooctadec-2-ene |
| IUPAC Name | 20-nitro-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene |
| InChI Key | LQXOKBZWNFJJGI-UHFFFAOYSA-N |
| Molecular Formula | C16H23NO8 |
3,4-Dihydro-2H-1,5-benzodioxepine-7-carbaldehyde, 95+%, Thermo Scientific™
CAS: 67869-90-3 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 InChI Key: LCSVYSVGXQQHSI-UHFFFAOYSA-N PubChem CID: 2776388 IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde SMILES: C1COC2=C(C=C(C=C2)C=O)OC1
| PubChem CID | 2776388 |
|---|---|
| CAS | 67869-90-3 |
| Molecular Weight (g/mol) | 178.187 |
| SMILES | C1COC2=C(C=C(C=C2)C=O)OC1 |
| IUPAC Name | 3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde |
| InChI Key | LCSVYSVGXQQHSI-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |