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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

(E,E)-Piperic Acid, TRC

CAS: 136-72-1 Molecular Formula: C12 H10 O4 Molecular Weight (g/mol): 218.21 IUPAC Name: (2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid SMILES: OC(=O)\C=C\C=C\c1ccc2OCOc2c1

CAS 136-72-1
Molecular Weight (g/mol) 218.21
SMILES OC(=O)\C=C\C=C\c1ccc2OCOc2c1
IUPAC Name (2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid
Molecular Formula C12 H10 O4
2

3,4-(Methylenedioxy)benzylideneacetone, 98%

CAS: 3160-37-0 Molecular Formula: C11H10O3 Molecular Weight (g/mol): 190.198 MDL Number: MFCD00016907 InChI Key: XIYPXOFSURQTTJ-NSCUHMNNSA-N Synonym: piperonalacetone,heliotropyl acetone,acetone, piperonylidene,piperonylideneacetone,piperonylidene acetone,unii-t43byj64eg,3-buten-2-one, 4-1,3-benzodioxol-5-yl,ccris 6270,3,4-methylenedioxy benzalacetone,3,4-methylenedioxy benzylideneacetone PubChem CID: 6040503 IUPAC Name: (E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one SMILES: CC(=O)C=CC1=CC2=C(C=C1)OCO2

PubChem CID 6040503
CAS 3160-37-0
Molecular Weight (g/mol) 190.198
MDL Number MFCD00016907
SMILES CC(=O)C=CC1=CC2=C(C=C1)OCO2
Synonym piperonalacetone,heliotropyl acetone,acetone, piperonylidene,piperonylideneacetone,piperonylidene acetone,unii-t43byj64eg,3-buten-2-one, 4-1,3-benzodioxol-5-yl,ccris 6270,3,4-methylenedioxy benzalacetone,3,4-methylenedioxy benzylideneacetone
IUPAC Name (E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
InChI Key XIYPXOFSURQTTJ-NSCUHMNNSA-N
Molecular Formula C11H10O3
3

2-Bromo-4,5-methylenedioxycinnamic acid, 97%, Thermo Scientific™

CAS: 27452-00-2 Molecular Formula: C10H6BrO4 Molecular Weight (g/mol): 270.06 MDL Number: MFCD00017599 InChI Key: FIFYPFARGVBVGX-OWOJBTEDSA-M Synonym: 2-bromo-4,5-methylenedioxycinnamic acid,2e-3-6-bromo-2h-1,3-benzodioxol-5-yl prop-2-enoic acid,3-6-bromobenzo d 1,3 dioxol-5-yl acrylic acid,6-bromo-3,4-methylenedioxy cinnamic acid,2-propenoic acid,3-6-bromo-1,3-benzodioxol-5-yl,3-6-bromo-2h-1,3-benzodioxol-5-yl prop-2-enoic acid,bromobenzodioxolylacrylicacid,2-bromo-4,5-methylenedioxy cinnamic acid,e-3-5-bromobenzo d 1,3 dioxol-6-yl acrylic acid,e-3-6-bromobenzo d 1,3 dioxol-5-yl acrylic acid PubChem CID: 6931592 IUPAC Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate SMILES: [O-]C(=O)\C=C\C1=CC2=C(OCO2)C=C1Br

PubChem CID 6931592
CAS 27452-00-2
Molecular Weight (g/mol) 270.06
MDL Number MFCD00017599
SMILES [O-]C(=O)\C=C\C1=CC2=C(OCO2)C=C1Br
Synonym 2-bromo-4,5-methylenedioxycinnamic acid,2e-3-6-bromo-2h-1,3-benzodioxol-5-yl prop-2-enoic acid,3-6-bromobenzo d 1,3 dioxol-5-yl acrylic acid,6-bromo-3,4-methylenedioxy cinnamic acid,2-propenoic acid,3-6-bromo-1,3-benzodioxol-5-yl,3-6-bromo-2h-1,3-benzodioxol-5-yl prop-2-enoic acid,bromobenzodioxolylacrylicacid,2-bromo-4,5-methylenedioxy cinnamic acid,e-3-5-bromobenzo d 1,3 dioxol-6-yl acrylic acid,e-3-6-bromobenzo d 1,3 dioxol-5-yl acrylic acid
IUPAC Name (E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate
InChI Key FIFYPFARGVBVGX-OWOJBTEDSA-M
Molecular Formula C10H6BrO4
4

3,4-Methylenedioxy-beta-nitrostyrene, 98%, Thermo Scientific™

CAS: 1485-00-3 Molecular Formula: C9H7NO4 Molecular Weight (g/mol): 193.158 MDL Number: MFCD00014575 InChI Key: KFLWBZPSJQPRDD-ONEGZZNKSA-N Synonym: 3,4-methylenedioxy-beta-nitrostyrene,mns,syk inhibitor iii,1,3-benzodioxole, 5-nitrovinyl,5-2-nitrovinyl benzo d 1,3 dioxole,1,3-benzodioxole, 5-2-nitroethenyl,5-2-nitrovinyl-1,3-benzodioxole,5-2-nitroethenyl-1,3-benzodioxole,styrene, 3,4-methylenedioxy-beta-nitro,e-5-2-nitrovinyl benzo d 1,3 dioxole 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-]

PubChem CID 672296
CAS 1485-00-3
Molecular Weight (g/mol) 193.158
MDL Number MFCD00014575
SMILES C1OC2=C(O1)C=C(C=C2)C=C[N+](=O)[O-]
Synonym 3,4-methylenedioxy-beta-nitrostyrene,mns,syk inhibitor iii,1,3-benzodioxole, 5-nitrovinyl,5-2-nitrovinyl benzo d 1,3 dioxole,1,3-benzodioxole, 5-2-nitroethenyl,5-2-nitrovinyl-1,3-benzodioxole,5-2-nitroethenyl-1,3-benzodioxole,styrene, 3,4-methylenedioxy-beta-nitro,e-5-2-nitrovinyl benzo d 1,3 dioxole
IUPAC Name 5-[(E)-2-nitroethenyl]-1,3-benzodioxole
InChI Key KFLWBZPSJQPRDD-ONEGZZNKSA-N
Molecular Formula C9H7NO4