Benzodioxoles

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-]

Alfa Aesar™ 3',4'-(Methylenedioxy)acetophenone, 98%

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

Alfa Aesar™ 3,4-(Methylenedioxy)aniline, 98+%

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

Alfa Aesar™ 4-Amino-2,2-difluoro-1,3-benzodioxole, 97+%

CAS: 106876-54-4 Molecular Formula: C7H5F2NO2 Molecular Weight (g/mol): 173.119 MDL Number: MFCD00792416 InChI Key: RXIKYXZKSIARLN-UHFFFAOYSA-N Synonym: 1,3-benzodioxol-4-amine, 2,2-difluoro PubChem CID: 2736891 IUPAC Name: 2,2-difluoro-1,3-benzodioxol-4-amine SMILES: C1=CC(=C2C(=C1)OC(O2)(F)F)N

Alfa Aesar™ 3,4-(Methylenedioxy)benzyl alcohol, 98%

CAS: 495-76-1 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00005836 InChI Key: BHUIUXNAPJIDOG-UHFFFAOYSA-N Synonym: 1,3-benzodioxole-5-methanol PubChem CID: 10322 IUPAC Name: 1,3-benzodioxol-5-ylmethanol SMILES: C1OC2=C(O1)C=C(C=C2)CO

Piperonylamine, 97%, ACROS Organics™

CAS: 2620-50-0 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.16 MDL Number: MFCD00005840 InChI Key: ZILSBZLQGRBMOR-UHFFFAOYSA-N Synonym: 1,3-benzodioxol-5-ylmethylamine PubChem CID: 75799 IUPAC Name: 1,3-benzodioxol-5-ylmethanamine SMILES: C1OC2=C(O1)C=C(C=C2)CN

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™ 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-]

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

Alfa Aesar™ 3,4-(Methylenedioxy)phenylacetonitrile, 98+%

CAS: 4439-02-5 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005835 InChI Key: ZQPBOYASBNAXOZ-UHFFFAOYSA-N Synonym: 1,3-benzodioxol-5-ylacetonitrile PubChem CID: 78178 IUPAC Name: 2-(1,3-benzodioxol-5-yl)acetonitrile SMILES: C1OC2=C(O1)C=C(C=C2)CC#N

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: 1,3-benzodioxole, 5-formyl-6-nitro 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-]

CL 316243 disodium salt, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 151126-84-0 Molecular Formula: C20H18ClNNaO7- Molecular Weight (g/mol): 442.804 InChI Key: DBEDHSNRCKDNPA-UHFFFAOYSA-L Synonym: 5-[(2R)-2-[[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino]propyl]-1, 3-benzodioxole-2, 2-dicarboxylic acid disodium salt PubChem CID: 71433613 IUPAC Name: sodium;5-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate SMILES: CC(CC1=CC2=C(C=C1)OC(O2)(C(=O)[O-])C(=O)[O-])NCC(C3=CC(=CC=C3)Cl)O.[Na+]

Alfa Aesar™ Piperonaldoxime, 99%

CAS: 2089-36-3 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.148 MDL Number: MFCD00016905 InChI Key: VDAJDWUTRXNYMU-RUDMXATFSA-N Synonym: 1,3-benzodioxole-5-carboxaldehyde, oxime PubChem CID: 6861467 IUPAC Name: (NE)-N-(1,3-benzodioxol-5-ylmethylidene)hydroxylamine SMILES: C1OC2=C(O1)C=C(C=C2)C=NO

SB 505124, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 694433-59-5 Molecular Formula: C20H21N3O2 Molecular Weight (g/mol): 335.407 InChI Key: WGZOTBUYUFBEPZ-UHFFFAOYSA-N Synonym: 2-4-1,3-benzodioxol-5-yl-2-1,1-dimethylethyl-1h-imidazol-5-yl-6-methyl-pyridin PubChem CID: 9858940 IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-1H-imidazol-5-yl]-6-methylpyridine SMILES: CC1=CC=CC(=N1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4

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

Piperonylamine 97.0+%, TCI America™

CAS: 2620-50-0 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00005840 InChI Key: ZILSBZLQGRBMOR-UHFFFAOYSA-N Synonym: 1,3-benzodioxol-5-ylmethylamine PubChem CID: 75799 IUPAC Name: 1,3-benzodioxol-5-ylmethanamine SMILES: C1OC2=C(O1)C=C(C=C2)CN

Alfa Aesar™ 1,3-Benzodioxole, 99%

CAS: 274-09-9 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.123 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

MNS, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 1485-00-3 Molecular Formula: C9H7NO4 Molecular Weight (g/mol): 193.158 InChI Key: KFLWBZPSJQPRDD-ONEGZZNKSA-N Synonym: 1,3-benzodioxole, 5-2-nitroethenyl PubChem CID: 672296 IUPAC Name: 5-[(E)-2-nitroethenyl]-1,3-benzodioxole SMILES: C1OC2=C(O1)C=C(C=C2)C=C[N+](=O)[O-]

Piperonylic Acid 99%, ACROS Organics™

CAS: 94-53-1 Molecular Formula: C8H6O4 Molecular Weight (g/mol): 166.13 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

Piperonyl alcohol, 98%, ACROS Organics™

CAS: 495-76-1 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00005836 InChI Key: BHUIUXNAPJIDOG-UHFFFAOYSA-N Synonym: 1,3-benzodioxole-5-methanol PubChem CID: 10322 IUPAC Name: 1,3-benzodioxol-5-ylmethanol SMILES: C1OC2=C(O1)C=C(C=C2)CO

Alfa Aesar™ Piperonyl butoxide, tech. 90%

CAS: 51-03-6 Molecular Formula: C19H30O5 Molecular Weight (g/mol): 338.444 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

1,2-Methylenedioxybenzene 99.0+%, TCI America™

CAS: 274-09-9 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.123 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

3,4-Methylenedioxybenzylamine, MP Biomedicals

CAS: 2620-50-0 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 InChI Key: ZILSBZLQGRBMOR-UHFFFAOYSA-N Synonym: 1,3-benzodioxol-5-ylmethylamine PubChem CID: 75799 IUPAC Name: 1,3-benzodioxol-5-ylmethanamine SMILES: C1OC2=C(O1)C=C(C=C2)CN

Alfa Aesar™ 4-Hydroxy-3-methoxybenzonitrile, 98%

CAS: 4421-09-4 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.13 MDL Number: MFCD00001820 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

Alfa Aesar™ 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: 2-chlor-4,5-methylendioxy-benzylalkohol PubChem CID: 7015319 IUPAC Name: (6-chloro-1,3-benzodioxol-5-yl)methanol SMILES: C1OC2=C(O1)C=C(C(=C2)CO)Cl

1,3-Benzodioxol-4-ylmethanol, 97%, Maybridge

CAS: 769-30-2 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD02681980 InChI Key: XVCMMPXFVAHHQN-UHFFFAOYSA-N Synonym: 1,3-benzodioxol-4-yl methanol PubChem CID: 2776187 IUPAC Name: 1,3-benzodioxol-4-ylmethanol SMILES: C1OC2=CC=CC(=C2O1)CO

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

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

8-Amino-1-naphthol-3,6-disulfonic acid, monosodium salt monohydrate, 80%, ACROS Organics™

CAS: 5460-09-3 Molecular Formula: C10H8NNaO7S2·H2O Molecular Weight (g/mol): 359.32 MDL Number: MFCD00150460 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

1-(1,3-Benzodioxol-5-yl)-2-bromoethan-1-one, Maybridge

CAS: 40288-65-1 Molecular Formula: C9H7BrO3 Molecular Weight (g/mol): 243.056 InChI Key: QBXCVQVFPVXAGS-UHFFFAOYSA-N Synonym: 1-1,3-benzodioxol-5-yl-2-bromoethan-1-one PubChem CID: 243777 IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-bromoethanone SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)CBr

Alfa Aesar™ 3,4-(Methylenedioxy)cinnamic acid, predominantly trans, 99%

CAS: 2373-80-0 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00005837 InChI Key: QFQYZMGOKIROEC-DUXPYHPUSA-N Synonym: 2e-3-1,3-benzodioxol-5-yl acrylic acid PubChem CID: 643181 ChEBI: CHEBI:81482 IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid SMILES: C1OC2=C(O1)C=C(C=C2)C=CC(=O)O

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