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Benzodioxoles

Aromatic organic heterocyclic compounds that consist of a benzene containing the methylenedioxy functional group; methylenedioxy functional groups have two oxygen atoms connected to a methylene bridge.
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1

6-Bromopiperonal, 98%

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 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
InChI Key CSQUXTSIDQURDV-UHFFFAOYSA-N
Molecular Formula C8H5BrO3
2

6-Bromopiperonal, 98%

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-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-1,3-benzodioxole-5-carbaldehyde
InChI Key CSQUXTSIDQURDV-UHFFFAOYSA-N
Molecular Formula C8H5BrO3
3

6-Chloropiperonyl alcohol, 98%

CAS: 2591-25-5 Molecular Formula: C8H7ClO3 Molecular Weight (g/mol): 186.591 MDL Number: MFCD00051727 InChI Key: ADHYYNHCXPPVHQ-UHFFFAOYSA-N Synonym: 6-chloropiperonyl alcohol,6-chloro-2h-1,3-benzodioxol-5-yl methanol,6-chlorobenzo d 1,3 dioxol-5-yl methanol,6-chloro-1,3-benzodioxol-5-yl methanol,2-chlor-4,5-methylendioxy-benzylalkohol,6-chloro-3,4-methylenedioxybenzyl alcohol,6-chloro-2h-benzo d 1,3-dioxolen-5-yl methan-1-ol PubChem CID: 7015319 IUPAC Name: (6-chloro-1,3-benzodioxol-5-yl)methanol SMILES: C1OC2=C(O1)C=C(C(=C2)CO)Cl

PubChem CID 7015319
CAS 2591-25-5
Molecular Weight (g/mol) 186.591
MDL Number MFCD00051727
SMILES C1OC2=C(O1)C=C(C(=C2)CO)Cl
Synonym 6-chloropiperonyl alcohol,6-chloro-2h-1,3-benzodioxol-5-yl methanol,6-chlorobenzo d 1,3 dioxol-5-yl methanol,6-chloro-1,3-benzodioxol-5-yl methanol,2-chlor-4,5-methylendioxy-benzylalkohol,6-chloro-3,4-methylenedioxybenzyl alcohol,6-chloro-2h-benzo d 1,3-dioxolen-5-yl methan-1-ol
IUPAC Name (6-chloro-1,3-benzodioxol-5-yl)methanol
InChI Key ADHYYNHCXPPVHQ-UHFFFAOYSA-N
Molecular Formula C8H7ClO3
4

6-Nitropiperonyl alcohol, 98+%

CAS: 15341-08-9 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.15 MDL Number: MFCD00005825 InChI Key: LJXBRPHBDWIHPR-UHFFFAOYSA-N Synonym: 6-nitropiperonyl alcohol,6-nitrobenzo d 1,3 dioxol-5-yl methanol,3,4-methylenedioxy-6-nitrobenzyl alcohol,6-nitro-3,4-methylenedioxybenzyl alcohol,6-nitro-1,3-benzodioxol-5-yl methanol,6-nitro-2h-1,3-benzodioxol-5-yl methanol,6-nitro-1,3-benzodioxole-5-methanol,1,3-benzodioxole-5-methanol,6-nitro,1,3-benzodioxole-5-methanol, 6-nitro,6-nitro-1,3-benzodioxol-5-yl methanol # PubChem CID: 519111 IUPAC Name: (5-nitro-2H-1,3-benzodioxol-4-yl)methanol SMILES: OCC1=C2OCOC2=CC=C1[N+]([O-])=O

PubChem CID 519111
CAS 15341-08-9
Molecular Weight (g/mol) 197.15
MDL Number MFCD00005825
SMILES OCC1=C2OCOC2=CC=C1[N+]([O-])=O
Synonym 6-nitropiperonyl alcohol,6-nitrobenzo d 1,3 dioxol-5-yl methanol,3,4-methylenedioxy-6-nitrobenzyl alcohol,6-nitro-3,4-methylenedioxybenzyl alcohol,6-nitro-1,3-benzodioxol-5-yl methanol,6-nitro-2h-1,3-benzodioxol-5-yl methanol,6-nitro-1,3-benzodioxole-5-methanol,1,3-benzodioxole-5-methanol,6-nitro,1,3-benzodioxole-5-methanol, 6-nitro,6-nitro-1,3-benzodioxol-5-yl methanol #
IUPAC Name (5-nitro-2H-1,3-benzodioxol-4-yl)methanol
InChI Key LJXBRPHBDWIHPR-UHFFFAOYSA-N
Molecular Formula C8H7NO5
5

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
6

6-Nitropiperonal 97.0+%, TCI America™

CAS: 712-97-0 Molecular Formula: C8H5NO5 Molecular Weight (g/mol): 195.13 MDL Number: MFCD00005829 InChI Key: NRZWECORTTWSEF-UHFFFAOYSA-N Synonym: 6-nitropiperonal,6-nitrobenzo d 1,3 dioxole-5-carbaldehyde,piperonal, 6-nitro,1,3-benzodioxole, 5-formyl-6-nitro,2-nitro-4,5-methylenedioxybenzaldehyde,4,5-methylenedioxy-2-nitrobenzaldehyde,1,3-benzodioxole-5-carboxaldehyde, 6-nitro,3,4-methylenedioxy-6-nitrobenzaldehyde,6-nitro-1,3-benzodioxole-5-carboxaldehyde PubChem CID: 12840 IUPAC Name: 6-nitro-1,3-benzodioxole-5-carbaldehyde SMILES: C1OC2=C(O1)C=C(C(=C2)C=O)[N+](=O)[O-]

PubChem CID 12840
CAS 712-97-0
Molecular Weight (g/mol) 195.13
MDL Number MFCD00005829
SMILES C1OC2=C(O1)C=C(C(=C2)C=O)[N+](=O)[O-]
Synonym 6-nitropiperonal,6-nitrobenzo d 1,3 dioxole-5-carbaldehyde,piperonal, 6-nitro,1,3-benzodioxole, 5-formyl-6-nitro,2-nitro-4,5-methylenedioxybenzaldehyde,4,5-methylenedioxy-2-nitrobenzaldehyde,1,3-benzodioxole-5-carboxaldehyde, 6-nitro,3,4-methylenedioxy-6-nitrobenzaldehyde,6-nitro-1,3-benzodioxole-5-carboxaldehyde
IUPAC Name 6-nitro-1,3-benzodioxole-5-carbaldehyde
InChI Key NRZWECORTTWSEF-UHFFFAOYSA-N
Molecular Formula C8H5NO5
7

1-(6-Nitro-1,3-benzodioxol-5-yl)ethanol 98.0+%, TCI America™

CAS: 159873-64-0 Molecular Formula: C9H9NO5 Molecular Weight (g/mol): 211.173 MDL Number: MFCD08274663 InChI Key: UHJMDARCOIYCHL-UHFFFAOYSA-N Synonym: alpha-Methyl-6-nitro-1,3-benzodioxole-5-methanol, alpha-Methyl-6-nitropiperonyl Alcohol PubChem CID: 10932738 IUPAC Name: 1-(6-nitro-1,3-benzodioxol-5-yl)ethanol SMILES: CC(C1=CC2=C(C=C1[N+](=O)[O-])OCO2)O

PubChem CID 10932738
CAS 159873-64-0
Molecular Weight (g/mol) 211.173
MDL Number MFCD08274663
SMILES CC(C1=CC2=C(C=C1[N+](=O)[O-])OCO2)O
Synonym alpha-Methyl-6-nitro-1,3-benzodioxole-5-methanol, alpha-Methyl-6-nitropiperonyl Alcohol
IUPAC Name 1-(6-nitro-1,3-benzodioxol-5-yl)ethanol
InChI Key UHJMDARCOIYCHL-UHFFFAOYSA-N
Molecular Formula C9H9NO5
9

Sigma Aldrich 5-Bromo-6-methoxy-1H-indazole

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

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CAS 152626-78-3
10

Sigma Aldrich 6-Bromo-3-iodo-1H-pyrrolo[3,2-b]pyridine

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CAS 956485-60-2
11

Sigma Aldrich 2 3-DIHYDRO-6-(2-HYDROXYPHENYL)-2-OXOPYRIDINE-3-CARBONITRILE

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12

Sigma Aldrich 3-Ethyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid

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CAS 441718-51-0
13

4',5'-Methylenedioxy-2'-nitroacetophenone, 96%

CAS: 56136-84-6 Molecular Formula: C9H7NO5 Molecular Weight (g/mol): 209.157 MDL Number: MFCD00053045 InChI Key: BQONDGIXVHVIIR-UHFFFAOYSA-N Synonym: 1-6-nitro-1,3-benzodioxol-5-yl ethanone,4',5'-methylenedioxy-2'-nitroacetophenone,4,5-methylenedioxy-2-nitroacetophenone,1-6-nitrobenzo d 1,3 dioxol-5-yl ethanone,1-6-nitro-1,3-benzodioxol-5-yl ethan-1-one,1-6-nitro-2h-1,3-benzodioxol-5-yl ethan-1-one,1-6-nitro-2h-1,3-benzodioxol-5-yl ethanone,5-acetyl-6-nitro-1,3-benzodioxole,4.5-methylenedioxy-2-nitroacetophenone,5-acetyl-6-nitro-2h-benzo d 1,3-dioxolene PubChem CID: 92022 IUPAC Name: 1-(6-nitro-1,3-benzodioxol-5-yl)ethanone SMILES: CC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2

PubChem CID 92022
CAS 56136-84-6
Molecular Weight (g/mol) 209.157
MDL Number MFCD00053045
SMILES CC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2
Synonym 1-6-nitro-1,3-benzodioxol-5-yl ethanone,4',5'-methylenedioxy-2'-nitroacetophenone,4,5-methylenedioxy-2-nitroacetophenone,1-6-nitrobenzo d 1,3 dioxol-5-yl ethanone,1-6-nitro-1,3-benzodioxol-5-yl ethan-1-one,1-6-nitro-2h-1,3-benzodioxol-5-yl ethan-1-one,1-6-nitro-2h-1,3-benzodioxol-5-yl ethanone,5-acetyl-6-nitro-1,3-benzodioxole,4.5-methylenedioxy-2-nitroacetophenone,5-acetyl-6-nitro-2h-benzo d 1,3-dioxolene
IUPAC Name 1-(6-nitro-1,3-benzodioxol-5-yl)ethanone
InChI Key BQONDGIXVHVIIR-UHFFFAOYSA-N
Molecular Formula C9H7NO5
14

Piperonyl butoxide, tech. 90%

CAS: 51-03-6 Molecular Formula: C19H30O5 Molecular Weight (g/mol): 338.44 MDL Number: MFCD00005842 InChI Key: FIPWRIJSWJWJAI-UHFFFAOYSA-N Synonym: piperonyl butoxide,butacide,butocide,ethanol butoxide,pyrenone 606,piperonylbutoxide,6-propylpiperonyl butyl diethylene glycol ether,butyl carbitol 6-propylpiperonyl ether,5-2-2-butoxyethoxy ethoxy methyl-6-propylbenzo d 1,3 dioxole,butoxide synergist PubChem CID: 5794 ChEBI: CHEBI:32687 SMILES: CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC

PubChem CID 5794
CAS 51-03-6
Molecular Weight (g/mol) 338.44
ChEBI CHEBI:32687
MDL Number MFCD00005842
SMILES CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC
Synonym piperonyl butoxide,butacide,butocide,ethanol butoxide,pyrenone 606,piperonylbutoxide,6-propylpiperonyl butyl diethylene glycol ether,butyl carbitol 6-propylpiperonyl ether,5-2-2-butoxyethoxy ethoxy methyl-6-propylbenzo d 1,3 dioxole,butoxide synergist
InChI Key FIPWRIJSWJWJAI-UHFFFAOYSA-N
Molecular Formula C19H30O5
15

Piperonyl Butoxide 90.0+%, TCI America™

CAS: 51-03-6 Molecular Formula: C19H30O5 Molecular Weight (g/mol): 338.44 MDL Number: MFCD00005842 InChI Key: FIPWRIJSWJWJAI-UHFFFAOYSA-N Synonym: piperonyl butoxide,butacide,butocide,ethanol butoxide,pyrenone 606,piperonylbutoxide,6-propylpiperonyl butyl diethylene glycol ether,butyl carbitol 6-propylpiperonyl ether,5-2-2-butoxyethoxy ethoxy methyl-6-propylbenzo d 1,3 dioxole,butoxide synergist PubChem CID: 5794 ChEBI: CHEBI:32687 IUPAC Name: 5-{[2-(2-butoxyethoxy)ethoxy]methyl}-6-propyl-2H-1,3-benzodioxole SMILES: CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC

PubChem CID 5794
CAS 51-03-6
Molecular Weight (g/mol) 338.44
ChEBI CHEBI:32687
MDL Number MFCD00005842
SMILES CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC
Synonym piperonyl butoxide,butacide,butocide,ethanol butoxide,pyrenone 606,piperonylbutoxide,6-propylpiperonyl butyl diethylene glycol ether,butyl carbitol 6-propylpiperonyl ether,5-2-2-butoxyethoxy ethoxy methyl-6-propylbenzo d 1,3 dioxole,butoxide synergist
IUPAC Name 5-{[2-(2-butoxyethoxy)ethoxy]methyl}-6-propyl-2H-1,3-benzodioxole
InChI Key FIPWRIJSWJWJAI-UHFFFAOYSA-N
Molecular Formula C19H30O5