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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

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
2

5-Amino-2,2-difluoro-1,3-benzodioxole, 97+%

CAS: 1544-85-0 Molecular Formula: C7H5F2NO2 Molecular Weight (g/mol): 173.119 MDL Number: MFCD00190144 InChI Key: CVYQRDKVWVBOFP-UHFFFAOYSA-N Synonym: 2,2-difluoro-5-aminobenzodioxole,2,2-difluorobenzo d 1,3 dioxol-5-amine,2,2-difluoro-5-amino-1,3-benzodioxole,5-amino-2,2-difluorobenzodioxole,5-amino-2,2-difluoro-1,3-benzodioxole,2,2-difluoro-2h-1,3-benzodioxol-5-amine,1,3-benzodioxol-5-amine, 2,2-difluoro,3,4-difluoromethylenedioxy aniline,3,4-difluoromethylene dioxy aniline,2,2-difluoro-benzo 1,3 dioxol-5-ylamine PubChem CID: 2736893 IUPAC Name: 2,2-difluoro-1,3-benzodioxol-5-amine SMILES: C1=CC2=C(C=C1N)OC(O2)(F)F

PubChem CID 2736893
CAS 1544-85-0
Molecular Weight (g/mol) 173.119
MDL Number MFCD00190144
SMILES C1=CC2=C(C=C1N)OC(O2)(F)F
Synonym 2,2-difluoro-5-aminobenzodioxole,2,2-difluorobenzo d 1,3 dioxol-5-amine,2,2-difluoro-5-amino-1,3-benzodioxole,5-amino-2,2-difluorobenzodioxole,5-amino-2,2-difluoro-1,3-benzodioxole,2,2-difluoro-2h-1,3-benzodioxol-5-amine,1,3-benzodioxol-5-amine, 2,2-difluoro,3,4-difluoromethylenedioxy aniline,3,4-difluoromethylene dioxy aniline,2,2-difluoro-benzo 1,3 dioxol-5-ylamine
IUPAC Name 2,2-difluoro-1,3-benzodioxol-5-amine
InChI Key CVYQRDKVWVBOFP-UHFFFAOYSA-N
Molecular Formula C7H5F2NO2
3

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-methylenedioxybenzene,benzodioxole,benzo d 1,3 dioxole,1,3-dioxaindan,3,4-methylenedioxybenzene,2h-1,3-benzodioxole,1,2-methylenedioxy benzene,1,3-dioxindan,methylenedioxybenzene,o-methylenedioxy benzene PubChem CID: 9229 ChEBI: CHEBI:38732 IUPAC Name: 1,3-benzodioxole SMILES: C1OC2=CC=CC=C2O1

PubChem CID 9229
CAS 274-09-9
Molecular Weight (g/mol) 122.123
ChEBI CHEBI:38732
MDL Number MFCD00005818
SMILES C1OC2=CC=CC=C2O1
Synonym 1,2-methylenedioxybenzene,benzodioxole,benzo d 1,3 dioxole,1,3-dioxaindan,3,4-methylenedioxybenzene,2h-1,3-benzodioxole,1,2-methylenedioxy benzene,1,3-dioxindan,methylenedioxybenzene,o-methylenedioxy benzene
IUPAC Name 1,3-benzodioxole
InChI Key FTNJQNQLEGKTGD-UHFFFAOYSA-N
Molecular Formula C7H6O2
4

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

CAS: 65709-23-1 Molecular Formula: C9H6O4 Molecular Weight (g/mol): 178.14 MDL Number: MFCD03411518 InChI Key: OUCBKIWZWGSDJL-UHFFFAOYSA-N Synonym: 3,4-methylenedioxyphenylglyoxal hydrate,2-benzo d 1,3 dioxol-5-yl-2-oxoacetaldehyde hydrate,3,4-methylenedioxy phenylglyoxal hydrate,2-2h-1,3-benzodioxol-5-yl-2-oxoacetaldehyde hydrate,pubchem12143,benzo d 1,3 dioxole-5-glyoxal hydrate,2-1,3-benzodioxol-5-yl-2-oxoacetaldehyde hydrate,2-1,3-benzodioxol-5-yl-2-oxidanylidene-ethanal hydrate,2-2h-benzo 3,4-d 1,3-dioxolan-5-yl-2-oxoethanal, hydrate PubChem CID: 15608490 IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-oxoacetaldehyde;hydrate SMILES: O=CC(=O)C1=CC2=C(OCO2)C=C1

PubChem CID 15608490
CAS 65709-23-1
Molecular Weight (g/mol) 178.14
MDL Number MFCD03411518
SMILES O=CC(=O)C1=CC2=C(OCO2)C=C1
Synonym 3,4-methylenedioxyphenylglyoxal hydrate,2-benzo d 1,3 dioxol-5-yl-2-oxoacetaldehyde hydrate,3,4-methylenedioxy phenylglyoxal hydrate,2-2h-1,3-benzodioxol-5-yl-2-oxoacetaldehyde hydrate,pubchem12143,benzo d 1,3 dioxole-5-glyoxal hydrate,2-1,3-benzodioxol-5-yl-2-oxoacetaldehyde hydrate,2-1,3-benzodioxol-5-yl-2-oxidanylidene-ethanal hydrate,2-2h-benzo 3,4-d 1,3-dioxolan-5-yl-2-oxoethanal, hydrate
IUPAC Name 2-(1,3-benzodioxol-5-yl)-2-oxoacetaldehyde;hydrate
InChI Key OUCBKIWZWGSDJL-UHFFFAOYSA-N
Molecular Formula C9H6O4
5

5-(2-Chloroethyl)-1,3-benzodioxole, ≥97%, Thermo Scientific™

CAS: 23808-46-0 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD08435910 InChI Key: YFVIYUCTLBXCMJ-UHFFFAOYSA-N Synonym: 5-2-chloroethyl-1,3-benzodioxole,5-2-chloroethyl-2h-1,3-benzodioxole,1,3-benzodioxole,5-2-chloroethyl,4-2-chloroethyl-1,2-methylenedioxybenzene,5-2-chloroethyl-2h-benzo d 1,3-dioxolene PubChem CID: 15815969 IUPAC Name: 5-(2-chloroethyl)-1,3-benzodioxole SMILES: C1OC2=C(O1)C=C(C=C2)CCCl

PubChem CID 15815969
CAS 23808-46-0
Molecular Weight (g/mol) 184.619
MDL Number MFCD08435910
SMILES C1OC2=C(O1)C=C(C=C2)CCCl
Synonym 5-2-chloroethyl-1,3-benzodioxole,5-2-chloroethyl-2h-1,3-benzodioxole,1,3-benzodioxole,5-2-chloroethyl,4-2-chloroethyl-1,2-methylenedioxybenzene,5-2-chloroethyl-2h-benzo d 1,3-dioxolene
IUPAC Name 5-(2-chloroethyl)-1,3-benzodioxole
InChI Key YFVIYUCTLBXCMJ-UHFFFAOYSA-N
Molecular Formula C9H9ClO2
6

2,2-Difluoro-1,3-benzodioxole-4-carboxaldehyde, 97%, Thermo Scientific™

CAS: 119895-68-0 Molecular Formula: C8H4F2O3 Molecular Weight (g/mol): 186.114 MDL Number: MFCD00792419 InChI Key: NIBFJPXGNVPNHK-UHFFFAOYSA-N Synonym: 2,2-difluoro-4-formylbenzodioxole,2,2-difluoro-2h-1,3-benzodioxole-4-carbaldehyde,2,2-difluorobenzodioxole-4-carboxaldehyde,2,2-difluoro-1,3-benzodioxole-4-carboxaldehyde,2,2-difluorobenzo d 1,3 dioxole-4-carbaldehyde,2,2-difluoro-4-formyl-1,3-benzodioxole,2,2-difluoro-benzo 1,3 dioxole-4-carbaldehyde,2,2-difluoro-1,3-benzodioxol-4-yl-carbaldehyde,1,3-benzodioxole-4-carboxaldehyde, 2,2-difluoro PubChem CID: 2736970 IUPAC Name: 2,2-difluoro-1,3-benzodioxole-4-carbaldehyde SMILES: C1=CC(=C2C(=C1)OC(O2)(F)F)C=O

PubChem CID 2736970
CAS 119895-68-0
Molecular Weight (g/mol) 186.114
MDL Number MFCD00792419
SMILES C1=CC(=C2C(=C1)OC(O2)(F)F)C=O
Synonym 2,2-difluoro-4-formylbenzodioxole,2,2-difluoro-2h-1,3-benzodioxole-4-carbaldehyde,2,2-difluorobenzodioxole-4-carboxaldehyde,2,2-difluoro-1,3-benzodioxole-4-carboxaldehyde,2,2-difluorobenzo d 1,3 dioxole-4-carbaldehyde,2,2-difluoro-4-formyl-1,3-benzodioxole,2,2-difluoro-benzo 1,3 dioxole-4-carbaldehyde,2,2-difluoro-1,3-benzodioxol-4-yl-carbaldehyde,1,3-benzodioxole-4-carboxaldehyde, 2,2-difluoro
IUPAC Name 2,2-difluoro-1,3-benzodioxole-4-carbaldehyde
InChI Key NIBFJPXGNVPNHK-UHFFFAOYSA-N
Molecular Formula C8H4F2O3
7

1,3-Benzodioxole, 99%

CAS: 274-09-9 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.12 MDL Number: MFCD00005818 InChI Key: FTNJQNQLEGKTGD-UHFFFAOYSA-N Synonym: 1,2-methylenedioxybenzene,benzodioxole,benzo d 1,3 dioxole,1,3-dioxaindan,3,4-methylenedioxybenzene,2h-1,3-benzodioxole,1,2-methylenedioxy benzene,1,3-dioxindan,methylenedioxybenzene,o-methylenedioxy benzene PubChem CID: 9229 ChEBI: CHEBI:38732 IUPAC Name: 1,3-benzodioxole SMILES: C1OC2=CC=CC=C2O1

PubChem CID 9229
CAS 274-09-9
Molecular Weight (g/mol) 122.12
ChEBI CHEBI:38732
MDL Number MFCD00005818
SMILES C1OC2=CC=CC=C2O1
Synonym 1,2-methylenedioxybenzene,benzodioxole,benzo d 1,3 dioxole,1,3-dioxaindan,3,4-methylenedioxybenzene,2h-1,3-benzodioxole,1,2-methylenedioxy benzene,1,3-dioxindan,methylenedioxybenzene,o-methylenedioxy benzene
IUPAC Name 1,3-benzodioxole
InChI Key FTNJQNQLEGKTGD-UHFFFAOYSA-N
Molecular Formula C7H6O2
8

3,4-(Methylenedioxy)benzylamine, 97%, Thermo Scientific™

CAS: 2620-50-0 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00005840 InChI Key: ZILSBZLQGRBMOR-UHFFFAOYSA-N Synonym: piperonylamine,benzo d 1,3 dioxol-5-ylmethanamine,3,4-methylenedioxybenzylamine,1,3-benzodioxol-5-ylmethylamine,1,3-benzodioxole-5-methanamine,2h-1,3-benzodioxol-5-ylmethanamine,3,4-methylenedioxy benzylamine,benzo-1,3-dioxole-5-methylamine,1-1,3-benzodioxol-5-yl methanamine,5-aminomethyl-1,3-benzodioxole PubChem CID: 75799 SMILES: NCC1=CC=C2OCOC2=C1

PubChem CID 75799
CAS 2620-50-0
Molecular Weight (g/mol) 151.17
MDL Number MFCD00005840
SMILES NCC1=CC=C2OCOC2=C1
Synonym piperonylamine,benzo d 1,3 dioxol-5-ylmethanamine,3,4-methylenedioxybenzylamine,1,3-benzodioxol-5-ylmethylamine,1,3-benzodioxole-5-methanamine,2h-1,3-benzodioxol-5-ylmethanamine,3,4-methylenedioxy benzylamine,benzo-1,3-dioxole-5-methylamine,1-1,3-benzodioxol-5-yl methanamine,5-aminomethyl-1,3-benzodioxole
InChI Key ZILSBZLQGRBMOR-UHFFFAOYSA-N
Molecular Formula C8H9NO2
9

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: 2-methyl-3-3,4-methylenedioxy phenyl propionic acid,3-2h-1,3-benzodioxol-5-yl-2-methylpropanoic acid,3-1,3-benzodioxol-5-yl-2-methylpropanoic acid,3-2h-benzo d 1,3-dioxolen-5-yl-2-methylpropanoic acid,acmc-20anr1,1,3-benzodioxole-5-propanoicacid, a-methyl,alpha-methyl-1,3-benzodioxole-5-propionic acid,3-1,3-benzodioxol-5-yl-2-methyl-propanoic acid,1,3-benzodioxole-5-propanoic acid, .alpha.-methyl,alpha-methyl-1,?3-benzodioxole-?5-?propanoic acid 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

PubChem CID 19614615
CAS 77269-66-0
Molecular Weight (g/mol) 208.213
MDL Number MFCD06203229
SMILES CC(CC1=CC2=C(C=C1)OCO2)C(=O)O
Synonym 2-methyl-3-3,4-methylenedioxy phenyl propionic acid,3-2h-1,3-benzodioxol-5-yl-2-methylpropanoic acid,3-1,3-benzodioxol-5-yl-2-methylpropanoic acid,3-2h-benzo d 1,3-dioxolen-5-yl-2-methylpropanoic acid,acmc-20anr1,1,3-benzodioxole-5-propanoicacid, a-methyl,alpha-methyl-1,3-benzodioxole-5-propionic acid,3-1,3-benzodioxol-5-yl-2-methyl-propanoic acid,1,3-benzodioxole-5-propanoic acid, .alpha.-methyl,alpha-methyl-1,?3-benzodioxole-?5-?propanoic acid
IUPAC Name 3-(1,3-benzodioxol-5-yl)-2-methylpropanoic acid
InChI Key DBXAHUCZEXVUKS-UHFFFAOYSA-N
Molecular Formula C11H12O4
10

3,4-(Methylenedioxy)benzyl isothiocyanate, 94%, Thermo Scientific™

CAS: 4430-47-1 Molecular Formula: C9H7NO2S Molecular Weight (g/mol): 193.22 MDL Number: MFCD00041217 InChI Key: PUJWRDBPAFJUJW-UHFFFAOYSA-N Synonym: 3,4-methylenedioxy benzyl isothiocyanate,1,3-benzodioxol-5-ylmethyl isothiocyanate,5-isothiocyanatomethyl-1,3-benzodioxole,3,4-methylenedioxybenzyl isothiocyanate,5-isothiocyanatomethyl-2h-1,3-benzodioxole,5-isothiocyanatomethyl-benzo 1,3 dioxole,5-isothiocyanatomethyl benzo d 1,3 dioxole,acmc-20angn,pubchem9883,akos bbr-002798 PubChem CID: 2795371 IUPAC Name: 5-(isothiocyanatomethyl)-1,3-benzodioxole SMILES: S=C=NCC1=CC=C2OCOC2=C1

PubChem CID 2795371
CAS 4430-47-1
Molecular Weight (g/mol) 193.22
MDL Number MFCD00041217
SMILES S=C=NCC1=CC=C2OCOC2=C1
Synonym 3,4-methylenedioxy benzyl isothiocyanate,1,3-benzodioxol-5-ylmethyl isothiocyanate,5-isothiocyanatomethyl-1,3-benzodioxole,3,4-methylenedioxybenzyl isothiocyanate,5-isothiocyanatomethyl-2h-1,3-benzodioxole,5-isothiocyanatomethyl-benzo 1,3 dioxole,5-isothiocyanatomethyl benzo d 1,3 dioxole,acmc-20angn,pubchem9883,akos bbr-002798
IUPAC Name 5-(isothiocyanatomethyl)-1,3-benzodioxole
InChI Key PUJWRDBPAFJUJW-UHFFFAOYSA-N
Molecular Formula C9H7NO2S
11

Piperonylamine, 97%, Thermo Scientific™

CAS: 2620-50-0 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00005840 InChI Key: ZILSBZLQGRBMOR-UHFFFAOYSA-N Synonym: piperonylamine,benzo d 1,3 dioxol-5-ylmethanamine,3,4-methylenedioxybenzylamine,1,3-benzodioxol-5-ylmethylamine,1,3-benzodioxole-5-methanamine,2h-1,3-benzodioxol-5-ylmethanamine,3,4-methylenedioxy benzylamine,benzo-1,3-dioxole-5-methylamine,1-1,3-benzodioxol-5-yl methanamine,5-aminomethyl-1,3-benzodioxole PubChem CID: 75799 IUPAC Name: 1,3-benzodioxol-5-ylmethanamine SMILES: NCC1=CC=C2OCOC2=C1

PubChem CID 75799
CAS 2620-50-0
Molecular Weight (g/mol) 151.17
MDL Number MFCD00005840
SMILES NCC1=CC=C2OCOC2=C1
Synonym piperonylamine,benzo d 1,3 dioxol-5-ylmethanamine,3,4-methylenedioxybenzylamine,1,3-benzodioxol-5-ylmethylamine,1,3-benzodioxole-5-methanamine,2h-1,3-benzodioxol-5-ylmethanamine,3,4-methylenedioxy benzylamine,benzo-1,3-dioxole-5-methylamine,1-1,3-benzodioxol-5-yl methanamine,5-aminomethyl-1,3-benzodioxole
IUPAC Name 1,3-benzodioxol-5-ylmethanamine
InChI Key ZILSBZLQGRBMOR-UHFFFAOYSA-N
Molecular Formula C8H9NO2