Benzodioxoles

Piperonyl Butoxide 90.0+%, TCI America™

CAS: 51-03-6 Molecular Formula: C19H30O5 Molecular Weight (g/mol): 338.444 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)ethoxymethyl]-6-propyl-1,3-benzodioxole SMILES: CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2

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: 1-1,3-benzodioxol-5-yl-methyl piperazine PubChem CID: 94426 IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)piperazine SMILES: C1CN(CCN1)CC2=CC3=C(C=C2)OCO3

Alfa Aesar™ Berberine chloride

CAS: 633-65-8 Molecular Formula: C20H18ClNO4 Molecular Weight (g/mol): 371.817 MDL Number: MFCD00011939 InChI Key: VKJGBAJNNALVAV-UHFFFAOYSA-M Synonym: benzodioxide PubChem CID: 12456 ChEBI: CHEBI:31271 SMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[Cl-]

2-Methyl-3-[(3,4-methylenedioxy)phenyl]propionic acid, Alfa Aesar™

CAS: 77269-66-0 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.213 MDL Number: MFCD06203229 InChI Key: DBXAHUCZEXVUKS-UHFFFAOYSA-N Synonym: 1,3-benzodioxole-5-propanoic acid, .alpha.-methyl PubChem CID: 19614615 IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-methylpropanoic acid SMILES: CC(CC1=CC2=C(C=C1)OCO2)C(=O)O

2,2-Difluoro-1,3-benzodioxole, 97%, Acros Organics™

CAS: 1583-59-1 Molecular Formula: C7H4F2O2 Molecular Weight (g/mol): 158.11 InChI Key: DGCOGZQDAXUUBY-UHFFFAOYSA-N Synonym: 1,2-difluoromethylenedioxy benzene PubChem CID: 74103 IUPAC Name: 2,2-difluoro-1,3-benzodioxole SMILES: C1=CC=C2C(=C1)OC(O2)(F)F

Alfa Aesar™ 4',5'-Methylenedioxy-2'-nitroacetophenone, 98%

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 ethan-1-one 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

3,4-(Methylenedioxy)phenylacetic acid, 98.5+%, ACROS Organics™

CAS: 2861-28-1 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00014576 InChI Key: ODVLMCWNGKLROU-UHFFFAOYSA-N Synonym: 1,3-benzodioxol-5-yl acetic acid PubChem CID: 76115 IUPAC Name: 2-(1,3-benzodioxol-5-yl)acetic acid SMILES: C1OC2=C(O1)C=C(C=C2)CC(=O)O

1,3-Benzodioxole, 99%, ACROS Organics™

CAS: 274-09-9 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.12 MDL Number: MFCD00005818 InChI Key: FTNJQNQLEGKTGD-UHFFFAOYSA-N Synonym: 1,2-methylenedioxy benzene PubChem CID: 9229 ChEBI: CHEBI:38732 IUPAC Name: 1,3-benzodioxole SMILES: C1OC2=CC=CC=C2O1

Alfa Aesar™ 4-(3,4-Methylenedioxy)phenyl-2-butanone, 98%

CAS: 55418-52-5 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00016910 InChI Key: TZJLGGWGVLADDN-UHFFFAOYSA-N Synonym: 2-butanone, 4-1,3-benzodioxol-5-yl PubChem CID: 62098 IUPAC Name: 4-(1,3-benzodioxol-5-yl)butan-2-one SMILES: CC(=O)CCC1=CC2=C(C=C1)OCO2

Alfa Aesar™ 1,2-Dibromo-4,5-(methylenedioxy)benzene, 98%

CAS: 5279-32-3 Molecular Formula: C7H4Br2O2 Molecular Weight (g/mol): 279.915 MDL Number: MFCD00094476 InChI Key: WPYAICCSYGUFTK-UHFFFAOYSA-N Synonym: 1,2-dibromo-4,5-methylenedioxy benzene PubChem CID: 225814 IUPAC Name: 5,6-dibromo-1,3-benzodioxole SMILES: C1OC2=CC(=C(C=C2O1)Br)Br

Alfa Aesar™ 3,4-(Methylenedioxy)benzeneboronic acid, 98%

CAS: 94839-07-3 Molecular Formula: C7H7BO4 Molecular Weight (g/mol): 165.939 MDL Number: MFCD01009695 InChI Key: CMHPUBKZZPSUIQ-UHFFFAOYSA-N Synonym: 1,3-benzodioxole-5-boronic acid PubChem CID: 2734371 IUPAC Name: 1,3-benzodioxol-5-ylboronic acid SMILES: B(C1=CC2=C(C=C1)OCO2)(O)O

3,4-Methylenedioxyaniline 98.0+%, TCI America™

CAS: 14268-66-7 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD00005832 InChI Key: XGNXYCFREOZBOL-UHFFFAOYSA-N Synonym: 3,4-methylenedioxy aniline, benzo d 1,3 dioxol-5-amine, 5-amino-1,3-benzodioxole, 3,4-methylenedioxyaniline, 4-amino-1,2-methylenedioxybenzene, 5-aminobenzodioxole, methylenedioxyaniline, 2h-1,3-benzodioxol-5-amine, 1-amino-3,4-methylenedioxybenzene, 1-amino-3,4-dimethylenedioxybenzene PubChem CID: 84310 IUPAC Name: 1,3-benzodioxol-5-amine SMILES: C1OC2=C(O1)C=C(C=C2)N

2,3-(Methylenedioxy)benzaldehyde 97.0+%, TCI America™

CAS: 7797-83-3 Molecular Formula: C8H6O3 Molecular Weight (g/mol): 150.133 MDL Number: MFCD00016902 InChI Key: QZMQKPGVXNSITP-UHFFFAOYSA-N Synonym: benzo d 1,3 dioxole-4-carbaldehyde, 4-formyl-1,3-benzodioxole, 2,3-methylenedioxy benzaldehyde, 1,3-benzodioxole-4-carboxaldehyde, 2h-1,3-benzodioxole-4-carbaldehyde, benzo-1,3-dioxole-4-carboxaldehyde, 2,3-methylenedioxybenzaldehyde, benzo 1,3 dioxole-4-carbaldehyde, 2h-benzo d 1,3-dioxolene-4-carbaldehyde, acmc-209pcy PubChem CID: 82264 IUPAC Name: 1,3-benzodioxole-4-carbaldehyde SMILES: C1OC2=CC=CC(=C2O1)C=O

Piperonyl butoxide, 90%, Tech., ACROS Organics™

CAS: 51-03-6 Molecular Formula: C19H30O5 Molecular Weight (g/mol): 338.44 MDL Number: MFCD00005842 InChI Key: FIPWRIJSWJWJAI-UHFFFAOYSA-N Synonym: 5-2-2-butoxyethoxy ethoxy methyl-6-propylbenzo d 1,3 dioxole PubChem CID: 5794 ChEBI: CHEBI:32687 IUPAC Name: 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole SMILES: CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2

5,6-Dibromo-1,3-benzodioxole 98.0+%, TCI America™

CAS: 5279-32-3 Molecular Formula: C7H4Br2O2 Molecular Weight (g/mol): 279.915 MDL Number: MFCD00094476 InChI Key: WPYAICCSYGUFTK-UHFFFAOYSA-N Synonym: 5,6-dibromobenzo d 1,3 dioxole, 1,2-dibromo-4,5-methylenedioxy benzene, 5,6-dibromo-2h-1,3-benzodioxole, 1,2-dibromo-4,5-methylenedioxybenzene, acmc-20ap6l, 1,3-benzodioxole,5,6-dibromo, 5,6-dibromo-benzo-1,3 dioxole, 5,6-bis bromanyl-1,3-benzodioxole, 4,5-dibromo-1,2-methylenedioxybenzene, 4,5-methylenedioxy-1,2-dibromobenzene PubChem CID: 225814 IUPAC Name: 5,6-dibromo-1,3-benzodioxole SMILES: C1OC2=CC(=C(C=C2O1)Br)Br

3,4-Methylenedioxyacetophenone, 98%, ACROS Organics™

CAS: 3162-29-6 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00005831 InChI Key: BMHMKWXYXFBWMI-UHFFFAOYSA-N Synonym: 1-1,3-benzodioxol-5-yl ethan-1-one PubChem CID: 76622 IUPAC Name: 1-(1,3-benzodioxol-5-yl)ethanone SMILES: CC(=O)C1=CC2=C(C=C1)OCO2

Piperonylonitrile 98.0+%, TCI America™

CAS: 4421-09-4 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.13 MDL Number: MFCD00005820 InChI Key: PKRWWZCDLJSJIF-UHFFFAOYSA-N Synonym: 2h-1,3-benzodioxole-5-carbonitrile PubChem CID: 78136 IUPAC Name: 1,3-benzodioxole-5-carbonitrile SMILES: C1OC2=C(O1)C=C(C=C2)C#N

Piperonylic Acid 98.0+%, TCI America™

CAS: 94-53-1 Molecular Formula: C8H6O4 Molecular Weight (g/mol): 166.132 MDL Number: MFCD00005830 InChI Key: VDVJGIYXDVPQLP-UHFFFAOYSA-N Synonym: 2h-1,3-benzodioxole-5-carboxylic acid PubChem CID: 7196 IUPAC Name: 1,3-benzodioxole-5-carboxylic acid SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)O

Alfa Aesar™ 3,4-(Methylenedioxy)phenylglyoxal hydrate, 97%, dry wt basis

CAS: 65709-23-1 Molecular Formula: C9H8O5 Molecular Weight (g/mol): 196.158 MDL Number: MFCD06801031 InChI Key: ZETZLJWJCYEROP-UHFFFAOYSA-N Synonym: 2-1,3-benzodioxol-5-yl-2-oxidanylidene-ethanal hydrate PubChem CID: 15608490 IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-oxoacetaldehyde;hydrate SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)C=O.O

Alfa Aesar™ 1,4-Bis(1-hydroxycyclohexyl)-1,3-butadiyne, 98+%

CAS: 5768-10-5 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00021401 InChI Key: LOFRBHZYZCIOJO-UHFFFAOYSA-N Synonym: 1,3-benzodioxole-5-carboxaldehyde, 7-methoxy PubChem CID: 22016 IUPAC Name: 7-methoxy-1,3-benzodioxole-5-carbaldehyde SMILES: COC1=CC(=CC2=C1OCO2)C=O

Alfa Aesar™ 6-Nitropiperonyl alcohol, 98+%

CAS: 15341-08-9 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00005825 InChI Key: XSKQKDTZQNFCCB-UHFFFAOYSA-N Synonym: 1,3-benzodioxole-5-methanol, 6-nitro PubChem CID: 519111 IUPAC Name: (6-nitro-1,3-benzodioxol-5-yl)methanol SMILES: C1OC2=C(O1)C=C(C(=C2)CO)[N+](=O)[O-]

Alfa Aesar™ 3,4-(Methylenedioxy)benzyl isothiocyanate, 94%

CAS: 4430-47-1 Molecular Formula: C9H7NO2S Molecular Weight (g/mol): 193.22 MDL Number: MFCD00041217 InChI Key: PUJWRDBPAFJUJW-UHFFFAOYSA-N Synonym: 1,3-benzodioxol-5-ylmethyl isothiocyanate PubChem CID: 2795371 IUPAC Name: 5-(isothiocyanatomethyl)-1,3-benzodioxole SMILES: C1OC2=C(O1)C=C(C=C2)CN=C=S

Alfa Aesar™ Piperonyl isobutyrate, 99%

CAS: 5461-08-5 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00005826 InChI Key: RQULTIASPCVEFO-UHFFFAOYSA-N Synonym: 1,3-benzodioxol-5-ylmethyl isobutyrate PubChem CID: 62580 IUPAC Name: 1,3-benzodioxol-5-ylmethyl 2-methylpropanoate SMILES: CC(C)C(=O)OCC1=CC2=C(C=C1)OCO2

Alfa Aesar™ 1,3-Benzodioxole-5-sulfonyl chloride, 97%

CAS: 115010-10-1 Molecular Formula: C7H5ClO4S Molecular Weight (g/mol): 220.623 MDL Number: MFCD04974524 InChI Key: ICUBASIDCXDQAW-UHFFFAOYSA-N Synonym: 1,3-benzodioxole-5-sulfonylchloride PubChem CID: 4913401 IUPAC Name: 1,3-benzodioxole-5-sulfonyl chloride SMILES: C1OC2=C(O1)C=C(C=C2)S(=O)(=O)Cl

6-Bromopiperonal 98.0+%, TCI America™

CAS: 15930-53-7 Molecular Formula: C8H5BrO3 Molecular Weight (g/mol): 229.029 MDL Number: MFCD00022952 InChI Key: CSQUXTSIDQURDV-UHFFFAOYSA-N Synonym: 1,3-benzodioxole-5-carboxaldehyde, 6-bromo PubChem CID: 95062 IUPAC Name: 6-bromo-1,3-benzodioxole-5-carbaldehyde SMILES: C1OC2=C(O1)C=C(C(=C2)C=O)Br

3,4-(Methylenedioxy)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™

CAS: 94839-07-3 Molecular Formula: C7H7BO4 Molecular Weight (g/mol): 165.939 MDL Number: MFCD01009695 InChI Key: CMHPUBKZZPSUIQ-UHFFFAOYSA-N Synonym: 1,3-benzodioxole-5-boronic acid PubChem CID: 2734371 IUPAC Name: 1,3-benzodioxol-5-ylboronic acid SMILES: B(C1=CC2=C(C=C1)OCO2)(O)O

3,4-Methylenedioxynitrobenzene 98.0+%, TCI America™

CAS: 2620-44-2 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00005824 InChI Key: SNWQAKNKGGOVMO-UHFFFAOYSA-N Synonym: 1,2-methylenedioxy-4-nitrobenzene PubChem CID: 75798 IUPAC Name: 5-nitro-1,3-benzodioxole SMILES: C1OC2=C(O1)C=C(C=C2)[N+](=O)[O-]

Alfa Aesar™ 1-Piperonylpiperazine, 97%

CAS: 32231-06-4 Molecular Formula: C12H16N2O2 Molecular Weight (g/mol): 220.272 MDL Number: MFCD00005834 InChI Key: NBOOZXVYXHATOW-UHFFFAOYSA-N Synonym: 1-1,3-benzodioxol-5-yl-methyl piperazine PubChem CID: 94426 IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)piperazine SMILES: C1CN(CCN1)CC2=CC3=C(C=C2)OCO3

2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehyde 97.0+%, TCI America™

CAS: 1205-17-0 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00067053 InChI Key: BOPPSUHPZARXTH-UHFFFAOYSA-N Synonym: 1,3-benzodioxole-5-propanal, .alpha.-methyl PubChem CID: 64805 IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-methylpropanal SMILES: CC(CC1=CC2=C(C=C1)OCO2)C=O

Alfa Aesar™ 3,4-(Methylenedioxy)phenylmagnesium bromide, 0.50 M in 2-MeTHF

CAS: 17680-04-5 Molecular Formula: C7H5BrMgO2 Molecular Weight (g/mol): 225.324 MDL Number: MFCD01863705 InChI Key: KLRLIDQAFFVFCV-UHFFFAOYSA-M Synonym: 1,3-benzodioxol-5-yl magnesium bromide PubChem CID: 4429644 IUPAC Name: magnesium;5H-1,3-benzodioxol-5-ide;bromide SMILES: C1OC2=CC=[C-]C=C2O1.[Mg+2].[Br-]

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