Organoheterocyclic compounds
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(-)-Camphanic Chloride 97.0+%, TCI America™
CAS: 39637-74-6 Molecular Formula: C10H13ClO3 Molecular Weight (g/mol): 216.661 MDL Number: MFCD00135626 InChI Key: PAXWODJTHKJQDZ-QVDQXJPCSA-N Synonym: 1s-4,7,7-trimethyl-3-oxo-2-oxabicyclo 2.2.1 heptane-1-carbonyl chloride,--1s,4r-camphanoyl chloride,1s---camphanic acid chloride PubChem CID: 12364938 IUPAC Name: (4S)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbonyl chloride SMILES: CC1(C2(CCC1(OC2=O)C(=O)Cl)C)C
| PubChem CID | 12364938 |
|---|---|
| CAS | 39637-74-6 |
| Molecular Weight (g/mol) | 216.661 |
| MDL Number | MFCD00135626 |
| SMILES | CC1(C2(CCC1(OC2=O)C(=O)Cl)C)C |
| Synonym | 1s-4,7,7-trimethyl-3-oxo-2-oxabicyclo 2.2.1 heptane-1-carbonyl chloride,--1s,4r-camphanoyl chloride,1s---camphanic acid chloride |
| IUPAC Name | (4S)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbonyl chloride |
| InChI Key | PAXWODJTHKJQDZ-QVDQXJPCSA-N |
| Molecular Formula | C10H13ClO3 |
2-(Chloromethyl)-1,2-epoxypropane 98.0+%, TCI America™
CAS: 598-09-4 Molecular Formula: C4H7ClO Molecular Weight (g/mol): 106.549 MDL Number: MFCD00052487 InChI Key: VVHFXJOCUKBZFS-UHFFFAOYSA-N Synonym: 2-chloromethyl-2-methyloxirane,oxirane, 2-chloromethyl-2-methyl,2-chloromethyl-2-methyl-oxirane,2-chloromethyl-1,2-epoxypropane,methyl epichlorohydrin,2-methylepichlorohydrin,acmc-209mfx,beta-methylepichlorohydrin,ksc493o4b PubChem CID: 95220 IUPAC Name: 2-(chloromethyl)-2-methyloxirane SMILES: CC1(CO1)CCl
| PubChem CID | 95220 |
|---|---|
| CAS | 598-09-4 |
| Molecular Weight (g/mol) | 106.549 |
| MDL Number | MFCD00052487 |
| SMILES | CC1(CO1)CCl |
| Synonym | 2-chloromethyl-2-methyloxirane,oxirane, 2-chloromethyl-2-methyl,2-chloromethyl-2-methyl-oxirane,2-chloromethyl-1,2-epoxypropane,methyl epichlorohydrin,2-methylepichlorohydrin,acmc-209mfx,beta-methylepichlorohydrin,ksc493o4b |
| IUPAC Name | 2-(chloromethyl)-2-methyloxirane |
| InChI Key | VVHFXJOCUKBZFS-UHFFFAOYSA-N |
| Molecular Formula | C4H7ClO |
1,2-Epoxypentane 98.0+%, TCI America™
CAS: 1003-14-1 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.134 MDL Number: MFCD00192124 InChI Key: SYURNNNQIFDVCA-UHFFFAOYSA-N Synonym: 1,2-Pentylene Oxide, Propyloxirane PubChem CID: 13853 IUPAC Name: 2-propyloxirane SMILES: CCCC1CO1
| PubChem CID | 13853 |
|---|---|
| CAS | 1003-14-1 |
| Molecular Weight (g/mol) | 86.134 |
| MDL Number | MFCD00192124 |
| SMILES | CCCC1CO1 |
| Synonym | 1,2-Pentylene Oxide, Propyloxirane |
| IUPAC Name | 2-propyloxirane |
| InChI Key | SYURNNNQIFDVCA-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |
Propylene Oxide 99.0+%, TCI America™
CAS: 75-56-9 Molecular Formula: C3H6O Molecular Weight (g/mol): 58.08 MDL Number: MFCD00005126 InChI Key: GOOHAUXETOMSMM-UHFFFAOYNA-N Synonym: propylene oxide,1,2-epoxypropane,methyloxirane,epoxypropane,propyleneoxide,propene oxide,oxirane, methyl,1,2-propylene oxide,propylene epoxide,2,3-epoxypropane PubChem CID: 6378 ChEBI: CHEBI:38685 IUPAC Name: 2-methyloxirane SMILES: CC1CO1
| PubChem CID | 6378 |
|---|---|
| CAS | 75-56-9 |
| Molecular Weight (g/mol) | 58.08 |
| ChEBI | CHEBI:38685 |
| MDL Number | MFCD00005126 |
| SMILES | CC1CO1 |
| Synonym | propylene oxide,1,2-epoxypropane,methyloxirane,epoxypropane,propyleneoxide,propene oxide,oxirane, methyl,1,2-propylene oxide,propylene epoxide,2,3-epoxypropane |
| IUPAC Name | 2-methyloxirane |
| InChI Key | GOOHAUXETOMSMM-UHFFFAOYNA-N |
| Molecular Formula | C3H6O |
Glycidyl Phenyl Ether 99.0+%, TCI America™
CAS: 122-60-1 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00005133,MFCD31699959 InChI Key: FQYUMYWMJTYZTK-UHFFFAOYNA-N Synonym: glycidyl phenyl ether,phenyl glycidyl ether,2-phenoxymethyl oxirane,1,2-epoxy-3-phenoxypropane,oxirane, phenoxymethyl,phenylglycidyl ether,2,3-epoxypropyl phenyl ether,phenoxypropene oxide,phenylglycydyl ether,ether, phenylglycidyl PubChem CID: 31217 ChEBI: CHEBI:82367 IUPAC Name: 2-(phenoxymethyl)oxirane SMILES: C(OC1=CC=CC=C1)C1CO1
| PubChem CID | 31217 |
|---|---|
| CAS | 122-60-1 |
| Molecular Weight (g/mol) | 150.18 |
| ChEBI | CHEBI:82367 |
| MDL Number | MFCD00005133,MFCD31699959 |
| SMILES | C(OC1=CC=CC=C1)C1CO1 |
| Synonym | glycidyl phenyl ether,phenyl glycidyl ether,2-phenoxymethyl oxirane,1,2-epoxy-3-phenoxypropane,oxirane, phenoxymethyl,phenylglycidyl ether,2,3-epoxypropyl phenyl ether,phenoxypropene oxide,phenylglycydyl ether,ether, phenylglycidyl |
| IUPAC Name | 2-(phenoxymethyl)oxirane |
| InChI Key | FQYUMYWMJTYZTK-UHFFFAOYNA-N |
| Molecular Formula | C9H10O2 |
6-Bromopiperonal 98.0+%, TCI America™
CAS: 15930-53-7 Molecular Formula: C8H5BrO3 Molecular Weight (g/mol): 229.03 MDL Number: MFCD00022952 InChI Key: CSQUXTSIDQURDV-UHFFFAOYSA-N Synonym: 6-bromopiperonal,6-bromo-benzo 1,3 dioxole-5-carbaldehyde,2-bromo-4,5-methylenedioxybenzaldehyde,piperonal, 6-bromo,6-bromobenzo d 1,3 dioxole-5-carbaldehyde,6-bromo-1,3-benzodioxole-5-carboxaldehyde,6-bromo-2h-1,3-benzodioxole-5-carbaldehyde,1,3-benzodioxole-5-carboxaldehyde, 6-bromo,6-bromobenzo 1,3 dioxole-5-carbaldehyde,benzaldehyde, 2-bromo-4,5-methylenedioxy PubChem CID: 95062 IUPAC Name: 6-bromo-2H-1,3-benzodioxole-5-carbaldehyde SMILES: BrC1=CC2=C(OCO2)C=C1C=O
| PubChem CID | 95062 |
|---|---|
| CAS | 15930-53-7 |
| Molecular Weight (g/mol) | 229.03 |
| MDL Number | MFCD00022952 |
| SMILES | BrC1=CC2=C(OCO2)C=C1C=O |
| Synonym | 6-bromopiperonal,6-bromo-benzo 1,3 dioxole-5-carbaldehyde,2-bromo-4,5-methylenedioxybenzaldehyde,piperonal, 6-bromo,6-bromobenzo d 1,3 dioxole-5-carbaldehyde,6-bromo-1,3-benzodioxole-5-carboxaldehyde,6-bromo-2h-1,3-benzodioxole-5-carbaldehyde,1,3-benzodioxole-5-carboxaldehyde, 6-bromo,6-bromobenzo 1,3 dioxole-5-carbaldehyde,benzaldehyde, 2-bromo-4,5-methylenedioxy |
| IUPAC Name | 6-bromo-2H-1,3-benzodioxole-5-carbaldehyde |
| InChI Key | CSQUXTSIDQURDV-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrO3 |
| PubChem CID | 2734371 |
|---|---|
| CAS | 94839-07-3 |
| Molecular Weight (g/mol) | 165.939 |
| MDL Number | MFCD01009695 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC2=C(C=C1)OCO2)(O)O |
| TSCA | No |
| IUPAC Name | 1,3-benzodioxol-5-ylboronic acid |
| InChI Key | CMHPUBKZZPSUIQ-UHFFFAOYSA-N |
| Molecular Formula | C7H7BO4 |
| Formula Weight | 165.94 |
| Melting Point | 229°C |
Piperonylic Acid 98.0+%, TCI America™
CAS: 94-53-1 Molecular Formula: C8H6O4 Molecular Weight (g/mol): 166.13 MDL Number: MFCD00005830 InChI Key: VDVJGIYXDVPQLP-UHFFFAOYSA-N Synonym: piperonylic acid,heliotropic acid,3,4-methylenedioxybenzoic acid,benzo d 1,3 dioxole-5-carboxylic acid,2h-1,3-benzodioxole-5-carboxylic acid,benzo 1,3 dioxole-5-carboxylic acid,protocatechuic acid methylene ether,5-benzodioxolecarboxylic acid,3,4-dioxymethylenebenzoic acid,3,4-methylene dioxybenzoic acid PubChem CID: 7196 IUPAC Name: 2H-1,3-benzodioxole-5-carboxylic acid SMILES: OC(=O)C1=CC=C2OCOC2=C1
| PubChem CID | 7196 |
|---|---|
| CAS | 94-53-1 |
| Molecular Weight (g/mol) | 166.13 |
| MDL Number | MFCD00005830 |
| SMILES | OC(=O)C1=CC=C2OCOC2=C1 |
| Synonym | piperonylic acid,heliotropic acid,3,4-methylenedioxybenzoic acid,benzo d 1,3 dioxole-5-carboxylic acid,2h-1,3-benzodioxole-5-carboxylic acid,benzo 1,3 dioxole-5-carboxylic acid,protocatechuic acid methylene ether,5-benzodioxolecarboxylic acid,3,4-dioxymethylenebenzoic acid,3,4-methylene dioxybenzoic acid |
| IUPAC Name | 2H-1,3-benzodioxole-5-carboxylic acid |
| InChI Key | VDVJGIYXDVPQLP-UHFFFAOYSA-N |
| Molecular Formula | C8H6O4 |
2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehyde 97.0+%, TCI America™
CAS: 1205-17-0 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.21 MDL Number: MFCD00067053 InChI Key: BOPPSUHPZARXTH-UHFFFAOYNA-N Synonym: 2-methyl-3-3,4-methylenedioxyphenyl propanal,3-1,3-benzodioxol-5-yl-2-methylpropanal,alpha-methyl-3,4-methylene-dioxyhydrocinnamic aldehyde,1,3-benzodioxole-5-propanal, alpha-methyl,1,3-benzodioxole-5-propanal, .alpha.-methyl,3-3,4-methylenedioxyphenyl-2-methylpropanal,alpha-methyl-1,3-benzodioxole-5-propionaldehyde,2-methyl-3-3,4-methylenedioxyphenyl-propanal,3-3,4-methylenedioxyphenyl-2-methyl-propanol,2-methyl-3-3,4-methylenedioxyphenyl propionaldehyde PubChem CID: 64805 IUPAC Name: 3-(2H-1,3-benzodioxol-5-yl)-2-methylpropanal SMILES: CC(CC1=CC=C2OCOC2=C1)C=O
| PubChem CID | 64805 |
|---|---|
| CAS | 1205-17-0 |
| Molecular Weight (g/mol) | 192.21 |
| MDL Number | MFCD00067053 |
| SMILES | CC(CC1=CC=C2OCOC2=C1)C=O |
| Synonym | 2-methyl-3-3,4-methylenedioxyphenyl propanal,3-1,3-benzodioxol-5-yl-2-methylpropanal,alpha-methyl-3,4-methylene-dioxyhydrocinnamic aldehyde,1,3-benzodioxole-5-propanal, alpha-methyl,1,3-benzodioxole-5-propanal, .alpha.-methyl,3-3,4-methylenedioxyphenyl-2-methylpropanal,alpha-methyl-1,3-benzodioxole-5-propionaldehyde,2-methyl-3-3,4-methylenedioxyphenyl-propanal,3-3,4-methylenedioxyphenyl-2-methyl-propanol,2-methyl-3-3,4-methylenedioxyphenyl propionaldehyde |
| IUPAC Name | 3-(2H-1,3-benzodioxol-5-yl)-2-methylpropanal |
| InChI Key | BOPPSUHPZARXTH-UHFFFAOYNA-N |
| Molecular Formula | C11H12O3 |
1-Piperonylpiperazine 97.0+%, TCI America™
CAS: 32231-06-4 Molecular Formula: C12H16N2O2 Molecular Weight (g/mol): 220.272 MDL Number: MFCD00005834 InChI Key: NBOOZXVYXHATOW-UHFFFAOYSA-N Synonym: 1-piperonylpiperazine,1-3,4-methylenedioxybenzyl piperazine,1-benzo d 1,3 dioxol-5-ylmethyl piperazine,1-1,3-benzodioxol-5-ylmethyl piperazine,1-1,3-benzodioxol-5-yl-methyl piperazine,1-benzo 1,3 dioxol-5-ylmethyl-piperazine,piperazine, 1-1,3-benzodioxol-5-ylmethyl,1-3,4-methylendioxybenzyl piperazine,piperazine, 1-3,4-methylenedioxybenzyl,5-piperazinylmethyl-2h-benzo d 1,3-dioxolene PubChem CID: 94426 IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)piperazine SMILES: C1CN(CCN1)CC2=CC3=C(C=C2)OCO3
| PubChem CID | 94426 |
|---|---|
| CAS | 32231-06-4 |
| Molecular Weight (g/mol) | 220.272 |
| MDL Number | MFCD00005834 |
| SMILES | C1CN(CCN1)CC2=CC3=C(C=C2)OCO3 |
| Synonym | 1-piperonylpiperazine,1-3,4-methylenedioxybenzyl piperazine,1-benzo d 1,3 dioxol-5-ylmethyl piperazine,1-1,3-benzodioxol-5-ylmethyl piperazine,1-1,3-benzodioxol-5-yl-methyl piperazine,1-benzo 1,3 dioxol-5-ylmethyl-piperazine,piperazine, 1-1,3-benzodioxol-5-ylmethyl,1-3,4-methylendioxybenzyl piperazine,piperazine, 1-3,4-methylenedioxybenzyl,5-piperazinylmethyl-2h-benzo d 1,3-dioxolene |
| IUPAC Name | 1-(1,3-benzodioxol-5-ylmethyl)piperazine |
| InChI Key | NBOOZXVYXHATOW-UHFFFAOYSA-N |
| Molecular Formula | C12H16N2O2 |
Stiripentol 98.0+%, TCI America™
CAS: 49763-96-4 Molecular Formula: C14H18O3 Molecular Weight (g/mol): 234.295 MDL Number: MFCD00869310 InChI Key: IBLNKMRFIPWSOY-FNORWQNLSA-N Synonym: 4,4-Dimethyl-1-(3,4-methylenedioxyphenyl)-1-penten-3-ol, 1-(1,3-Benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-ol PubChem CID: 5311454 IUPAC Name: (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-ol SMILES: CC(C)(C)C(C=CC1=CC2=C(C=C1)OCO2)O
| PubChem CID | 5311454 |
|---|---|
| CAS | 49763-96-4 |
| Molecular Weight (g/mol) | 234.295 |
| MDL Number | MFCD00869310 |
| SMILES | CC(C)(C)C(C=CC1=CC2=C(C=C1)OCO2)O |
| Synonym | 4,4-Dimethyl-1-(3,4-methylenedioxyphenyl)-1-penten-3-ol, 1-(1,3-Benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-ol |
| IUPAC Name | (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-ol |
| InChI Key | IBLNKMRFIPWSOY-FNORWQNLSA-N |
| Molecular Formula | C14H18O3 |
6-Fluoro-2-methylquinoline 98.0+%, TCI America™
CAS: 1128-61-6 Molecular Formula: C10H8FN Molecular Weight (g/mol): 161.179 MDL Number: MFCD00041233 InChI Key: GPIARMSVZOEZCV-UHFFFAOYSA-N Synonym: 6-fluoroquinaldine,quinoline, 6-fluoro-2-methyl,2-methyl-6-fluoroquinoline,6-fluor-2-methylchinolin,6-fluoro quinaldine,pubchem7579,acmc-1boyk,maybridge1_000571,6-fluoro-2-methyl-quinoline,6-fluoro-2-methyl quinoline PubChem CID: 70784 IUPAC Name: 6-fluoro-2-methylquinoline SMILES: CC1=NC2=C(C=C1)C=C(C=C2)F
| PubChem CID | 70784 |
|---|---|
| CAS | 1128-61-6 |
| Molecular Weight (g/mol) | 161.179 |
| MDL Number | MFCD00041233 |
| SMILES | CC1=NC2=C(C=C1)C=C(C=C2)F |
| Synonym | 6-fluoroquinaldine,quinoline, 6-fluoro-2-methyl,2-methyl-6-fluoroquinoline,6-fluor-2-methylchinolin,6-fluoro quinaldine,pubchem7579,acmc-1boyk,maybridge1_000571,6-fluoro-2-methyl-quinoline,6-fluoro-2-methyl quinoline |
| IUPAC Name | 6-fluoro-2-methylquinoline |
| InChI Key | GPIARMSVZOEZCV-UHFFFAOYSA-N |
| Molecular Formula | C10H8FN |
N-tert-Butyl-alpha-(4-pyridyl-1-oxide)nitrone 98.0+%, TCI America™
CAS: 66893-81-0 Molecular Formula: C10H14N2O2 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00041022 InChI Key: RNRMWTCECDHNQU-UHFFFAOYSA-N Synonym: pobn,n-tert-butyl-alpha-4-pyridyl-1-oxide nitrone,unii-2140sm8q5o,alpha-4-pyridyl-1-oxide-n-tert-butylnitrone,pyridyloxide tert-butylnitrone,4-tert-butyl oxo ammonio methylidene pyridin-1 4h-olate,alpha-4-pyridyl-n-oxide-n-t-butylnitrone,alpha-4-pyridyl n-oxide-n-tert-butylnitrone,n-tert-butyl-alpha-4-pyridyl nitrone n'-oxide,alpha-4-pyridyl-1-oxide-n-t-butylnitrone PubChem CID: 92375 IUPAC Name: 4-[(tert-butyl-oxo-λ⁵-azanylidene)methyl]pyridin-1-ium-1-olate SMILES: CC(C)(C)[N+]([O-])=CC1=CC=[N+]([O-])C=C1
| PubChem CID | 92375 |
|---|---|
| CAS | 66893-81-0 |
| Molecular Weight (g/mol) | 194.23 |
| MDL Number | MFCD00041022 |
| SMILES | CC(C)(C)[N+]([O-])=CC1=CC=[N+]([O-])C=C1 |
| Synonym | pobn,n-tert-butyl-alpha-4-pyridyl-1-oxide nitrone,unii-2140sm8q5o,alpha-4-pyridyl-1-oxide-n-tert-butylnitrone,pyridyloxide tert-butylnitrone,4-tert-butyl oxo ammonio methylidene pyridin-1 4h-olate,alpha-4-pyridyl-n-oxide-n-t-butylnitrone,alpha-4-pyridyl n-oxide-n-tert-butylnitrone,n-tert-butyl-alpha-4-pyridyl nitrone n'-oxide,alpha-4-pyridyl-1-oxide-n-t-butylnitrone |
| IUPAC Name | 4-[(tert-butyl-oxo-λ⁵-azanylidene)methyl]pyridin-1-ium-1-olate |
| InChI Key | RNRMWTCECDHNQU-UHFFFAOYSA-N |
| Molecular Formula | C10H14N2O2 |
2-[4-(Trifluoromethyl)phenyl]pyridine 98.0+%, TCI America™
CAS: 203065-88-7 Molecular Formula: C12H8F3N Molecular Weight (g/mol): 223.20 MDL Number: MFCD08235168 InChI Key: KGZSSIFFYUBVOX-UHFFFAOYSA-N PubChem CID: 10933075 IUPAC Name: 2-[4-(trifluoromethyl)phenyl]pyridine SMILES: FC(F)(F)C1=CC=C(C=C1)C1=CC=CC=N1
| PubChem CID | 10933075 |
|---|---|
| CAS | 203065-88-7 |
| Molecular Weight (g/mol) | 223.20 |
| MDL Number | MFCD08235168 |
| SMILES | FC(F)(F)C1=CC=C(C=C1)C1=CC=CC=N1 |
| IUPAC Name | 2-[4-(trifluoromethyl)phenyl]pyridine |
| InChI Key | KGZSSIFFYUBVOX-UHFFFAOYSA-N |
| Molecular Formula | C12H8F3N |
2,6-Diiodopyridine 97.0+%, TCI America™
CAS: 53710-17-1 Molecular Formula: C5H3I2N Molecular Weight (g/mol): 330.895 MDL Number: MFCD07366728 InChI Key: IHBAEQUKKOAEES-UHFFFAOYSA-N PubChem CID: 11427514 IUPAC Name: 2,6-diiodopyridine SMILES: C1=CC(=NC(=C1)I)I
| PubChem CID | 11427514 |
|---|---|
| CAS | 53710-17-1 |
| Molecular Weight (g/mol) | 330.895 |
| MDL Number | MFCD07366728 |
| SMILES | C1=CC(=NC(=C1)I)I |
| IUPAC Name | 2,6-diiodopyridine |
| InChI Key | IHBAEQUKKOAEES-UHFFFAOYSA-N |
| Molecular Formula | C5H3I2N |