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Benzodioxoles

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 – 11 of 11 results
1

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

CAS: 71217-46-4 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.159 MDL Number: MFCD08435909 InChI Key: RIUNOJGBBOBVDE-UHFFFAOYSA-N Synonym: 5-isocyanatomethyl-2h-1,3-benzodioxole,5-isocyanatomethyl-1,3-benzodioxole,1,3-benzodioxole,5-isocyanatomethyl,1,3-benzodioxole, 5-isocyanatomethyl,3,4-methylenedioxy benzyl isocyanate,1,3-benzodioxol-5-ylmethyl isocyanate,5-isocyanatomethyl benzo d 1,3 dioxole,2h-benzo 3,4-d 1,3-dioxolan-5-ylmethanisocyanate PubChem CID: 15932354 IUPAC Name: 5-(isocyanatomethyl)-1,3-benzodioxole SMILES: C1OC2=C(O1)C=C(C=C2)CN=C=O

PubChem CID 15932354
CAS 71217-46-4
Molecular Weight (g/mol) 177.159
MDL Number MFCD08435909
SMILES C1OC2=C(O1)C=C(C=C2)CN=C=O
Synonym 5-isocyanatomethyl-2h-1,3-benzodioxole,5-isocyanatomethyl-1,3-benzodioxole,1,3-benzodioxole,5-isocyanatomethyl,1,3-benzodioxole, 5-isocyanatomethyl,3,4-methylenedioxy benzyl isocyanate,1,3-benzodioxol-5-ylmethyl isocyanate,5-isocyanatomethyl benzo d 1,3 dioxole,2h-benzo 3,4-d 1,3-dioxolan-5-ylmethanisocyanate
IUPAC Name 5-(isocyanatomethyl)-1,3-benzodioxole
InChI Key RIUNOJGBBOBVDE-UHFFFAOYSA-N
Molecular Formula C9H7NO3
2

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
3

1-(1,3-Benzodioxol-5-yl)-2-bromoethan-1-one, Thermo Scientific™

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

PubChem CID 243777
CAS 40288-65-1
Molecular Weight (g/mol) 243.056
SMILES C1OC2=C(O1)C=C(C=C2)C(=O)CBr
IUPAC Name 1-(1,3-benzodioxol-5-yl)-2-bromoethanone
InChI Key QBXCVQVFPVXAGS-UHFFFAOYSA-N
Molecular Formula C9H7BrO3
4

n-(1,3-benzodioxol-5-ylmethyl)-n-methylamine, 97%, Thermo Scientific™

CAS: 15205-27-3 Molecular Formula: C9H12NO2 Molecular Weight (g/mol): 166.20 MDL Number: MFCD04496422 InChI Key: CEPGPPSMCRKGFJ-UHFFFAOYSA-O Synonym: n-1,3-benzodioxol-5-ylmethyl-n-methylamine,1-1,3-benzodioxol-5-yl-n-methylmethanamine,2h-1,3-benzodioxol-5-ylmethyl methyl amine,n-methyl-3,4-methylenedioxy benzylamine,1,3-benzodioxole-5-methanamine,n-methyl,1,3-benzodioxole-5-methanamine, n-methyl,2h-1,3-benzodioxol-5-yl methyl methyl amine,1,3-benzodioxol-5-ylmethyl methylaminehydrochloride,n-methylpiperonylamine,3,4-methylenedioxy-n-methylbenzylamine PubChem CID: 421238 SMILES: C[NH2+]CC1=CC=C2OCOC2=C1

PubChem CID 421238
CAS 15205-27-3
Molecular Weight (g/mol) 166.20
MDL Number MFCD04496422
SMILES C[NH2+]CC1=CC=C2OCOC2=C1
Synonym n-1,3-benzodioxol-5-ylmethyl-n-methylamine,1-1,3-benzodioxol-5-yl-n-methylmethanamine,2h-1,3-benzodioxol-5-ylmethyl methyl amine,n-methyl-3,4-methylenedioxy benzylamine,1,3-benzodioxole-5-methanamine,n-methyl,1,3-benzodioxole-5-methanamine, n-methyl,2h-1,3-benzodioxol-5-yl methyl methyl amine,1,3-benzodioxol-5-ylmethyl methylaminehydrochloride,n-methylpiperonylamine,3,4-methylenedioxy-n-methylbenzylamine
InChI Key CEPGPPSMCRKGFJ-UHFFFAOYSA-O
Molecular Formula C9H12NO2
5

1,3-Benzodioxol-4-ylmethanol, 97%, Thermo Scientific™

CAS: 769-30-2 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD02681980 InChI Key: XVCMMPXFVAHHQN-UHFFFAOYSA-N Synonym: benzo d 1,3 dioxol-4-ylmethanol,1,3-benzodioxole-4-methanol,2h-1,3-benzodioxol-4-ylmethanol,benzo 1,3 dioxol-4-yl-methanol,1,3-benzodioxol-4-yl-methanol,1,3-benzodioxol-4-yl methanol,2,3-methylenedioxy benzyl alcohol,4-hydroxymethyl-1,3-benzodioxole,benzo d 1,3 dioxol-7-yl methanol,2h-benzo d 1,3-dioxolen-4-ylmethan-1-ol PubChem CID: 2776187 IUPAC Name: 1,3-benzodioxol-4-ylmethanol SMILES: C1OC2=CC=CC(=C2O1)CO

PubChem CID 2776187
CAS 769-30-2
Molecular Weight (g/mol) 152.149
MDL Number MFCD02681980
SMILES C1OC2=CC=CC(=C2O1)CO
Synonym benzo d 1,3 dioxol-4-ylmethanol,1,3-benzodioxole-4-methanol,2h-1,3-benzodioxol-4-ylmethanol,benzo 1,3 dioxol-4-yl-methanol,1,3-benzodioxol-4-yl-methanol,1,3-benzodioxol-4-yl methanol,2,3-methylenedioxy benzyl alcohol,4-hydroxymethyl-1,3-benzodioxole,benzo d 1,3 dioxol-7-yl methanol,2h-benzo d 1,3-dioxolen-4-ylmethan-1-ol
IUPAC Name 1,3-benzodioxol-4-ylmethanol
InChI Key XVCMMPXFVAHHQN-UHFFFAOYSA-N
Molecular Formula C8H8O3
6

4-Bromo-1,3-benzodioxole, 97%, Thermo Scientific™

CAS: 6698-13-1 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.019 MDL Number: MFCD02681890 InChI Key: VZPMQHSDFWAZHP-UHFFFAOYSA-N PubChem CID: 2776189 IUPAC Name: 4-bromo-1,3-benzodioxole SMILES: C1OC2=C(O1)C(=CC=C2)Br

PubChem CID 2776189
CAS 6698-13-1
Molecular Weight (g/mol) 201.019
MDL Number MFCD02681890
SMILES C1OC2=C(O1)C(=CC=C2)Br
IUPAC Name 4-bromo-1,3-benzodioxole
InChI Key VZPMQHSDFWAZHP-UHFFFAOYSA-N
Molecular Formula C7H5BrO2
7

1,3-Benzodioxole-4-carboxylic acid, ≥97%, Thermo Scientific™

CAS: 5768-39-8 Molecular Formula: C8H6O4 Molecular Weight (g/mol): 166.132 MDL Number: MFCD01076411 InChI Key: DBUAYOWCIUQXQW-UHFFFAOYSA-N Synonym: benzo d 1,3 dioxole-4-carboxylic acid,2h-1,3-benzodioxole-4-carboxylic acid,1,3-benzodioxole-4-carboxylicacid,2,3-methylenedioxybenzoic acid,2,3-methylenedioxy benzoic acid,o-piperonylic acid,2-methylenedioxybenzoic acid,4-carboxy-1,3-benzodioxole,1-carboxy-methylenedioxybenzene,benzo 1,3 dioxole-4-carboxylic acid PubChem CID: 304832 IUPAC Name: 1,3-benzodioxole-4-carboxylic acid SMILES: C1OC2=CC=CC(=C2O1)C(=O)O

PubChem CID 304832
CAS 5768-39-8
Molecular Weight (g/mol) 166.132
MDL Number MFCD01076411
SMILES C1OC2=CC=CC(=C2O1)C(=O)O
Synonym benzo d 1,3 dioxole-4-carboxylic acid,2h-1,3-benzodioxole-4-carboxylic acid,1,3-benzodioxole-4-carboxylicacid,2,3-methylenedioxybenzoic acid,2,3-methylenedioxy benzoic acid,o-piperonylic acid,2-methylenedioxybenzoic acid,4-carboxy-1,3-benzodioxole,1-carboxy-methylenedioxybenzene,benzo 1,3 dioxole-4-carboxylic acid
IUPAC Name 1,3-benzodioxole-4-carboxylic acid
InChI Key DBUAYOWCIUQXQW-UHFFFAOYSA-N
Molecular Formula C8H6O4
8

1,3-Benzodioxol-5-ylmethyl isothiocyanate, ≥95%, 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
9

1,3-Benzodioxol-5-ylacetyl chloride, ≥97%, Thermo Scientific™

CAS: 6845-81-4 Molecular Formula: C9H7ClO3 Molecular Weight (g/mol): 198.60 MDL Number: MFCD03424722 InChI Key: HGSZGCXMAJSUSC-UHFFFAOYSA-N Synonym: benzo 1,3 dioxol-5-yl-acetyl chloride,1,3-benzodioxol-5-ylacetyl chloride,2-benzo d 1,3 dioxol-5-yl acetyl chloride,benzo 1,3 dioxol-5-ylacetyl chloride,2-2h-1,3-benzodioxol-5-yl acetyl chloride,2-2h-benzo 3,4-d 1,3-dioxolen-5-yl acetyl chloride,1,3-benzodioxole-5-acetylchloride,3,4-methylenedioxyphenylacetylchloride,3,4-methylenedioxyphenylacetyl chloride PubChem CID: 2756584 SMILES: ClC(=O)CC1=CC2=C(OCO2)C=C1

PubChem CID 2756584
CAS 6845-81-4
Molecular Weight (g/mol) 198.60
MDL Number MFCD03424722
SMILES ClC(=O)CC1=CC2=C(OCO2)C=C1
Synonym benzo 1,3 dioxol-5-yl-acetyl chloride,1,3-benzodioxol-5-ylacetyl chloride,2-benzo d 1,3 dioxol-5-yl acetyl chloride,benzo 1,3 dioxol-5-ylacetyl chloride,2-2h-1,3-benzodioxol-5-yl acetyl chloride,2-2h-benzo 3,4-d 1,3-dioxolen-5-yl acetyl chloride,1,3-benzodioxole-5-acetylchloride,3,4-methylenedioxyphenylacetylchloride,3,4-methylenedioxyphenylacetyl chloride
InChI Key HGSZGCXMAJSUSC-UHFFFAOYSA-N
Molecular Formula C9H7ClO3
10

2-(1,3-Benzodioxol-5-yl)ethanol, ≥97%, Thermo Scientific™

CAS: 6006-82-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00666033 InChI Key: JADSGOFBFPTCHG-UHFFFAOYSA-N Synonym: 2-benzo d 1,3 dioxol-5-yl ethanol,2-2h-1,3-benzodioxol-5-yl ethan-1-ol,3,4-methylenedioxy phenethyl alcohol,2-1,3-benzodioxol-5-yl ethanol,1,3-benzodioxole-5-ethanol,homopiperonyl alcohol,3,4-methylenedioxyphenethyl alcohol,2-1,3-benzodioxol-5-yl-ethanol,2-2h-1,3-benzodioxol-5-yl ethanol,benzodioxolylethanol PubChem CID: 2759846 IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethanol SMILES: C1OC2=C(O1)C=C(C=C2)CCO

PubChem CID 2759846
CAS 6006-82-2
Molecular Weight (g/mol) 166.176
MDL Number MFCD00666033
SMILES C1OC2=C(O1)C=C(C=C2)CCO
Synonym 2-benzo d 1,3 dioxol-5-yl ethanol,2-2h-1,3-benzodioxol-5-yl ethan-1-ol,3,4-methylenedioxy phenethyl alcohol,2-1,3-benzodioxol-5-yl ethanol,1,3-benzodioxole-5-ethanol,homopiperonyl alcohol,3,4-methylenedioxyphenethyl alcohol,2-1,3-benzodioxol-5-yl-ethanol,2-2h-1,3-benzodioxol-5-yl ethanol,benzodioxolylethanol
IUPAC Name 2-(1,3-benzodioxol-5-yl)ethanol
InChI Key JADSGOFBFPTCHG-UHFFFAOYSA-N
Molecular Formula C9H10O3
11

1,3-Benzodioxole-5-sulfonyl chloride, 95%, Thermo Scientific™

CAS: 115010-10-1 Molecular Formula: C7H5ClO4S Molecular Weight (g/mol): 220.623 InChI Key: ICUBASIDCXDQAW-UHFFFAOYSA-N Synonym: benzo d 1,3 dioxole-5-sulfonyl chloride,benzo 1,3 dioxole-5-sulfonyl chloride,2h-1,3-benzodioxole-5-sulfonyl chloride,1,3-benzodioxole-5-sulfonylchloride,1,3-benzodioxole-5-sulphonyl chloride,acmc-20a4hu,5-chlorosulphonyl-1,3-benzodioxole,benzo 1,3 dioxol-5-sulfonyl chloride,benzo 1,3 dioxol-5-sulphonyl chloride,benzo 1,3-dioxol-5-sulphonyl chloride PubChem CID: 4913401 IUPAC Name: 1,3-benzodioxole-5-sulfonyl chloride SMILES: C1OC2=C(O1)C=C(C=C2)S(=O)(=O)Cl

PubChem CID 4913401
CAS 115010-10-1
Molecular Weight (g/mol) 220.623
SMILES C1OC2=C(O1)C=C(C=C2)S(=O)(=O)Cl
Synonym benzo d 1,3 dioxole-5-sulfonyl chloride,benzo 1,3 dioxole-5-sulfonyl chloride,2h-1,3-benzodioxole-5-sulfonyl chloride,1,3-benzodioxole-5-sulfonylchloride,1,3-benzodioxole-5-sulphonyl chloride,acmc-20a4hu,5-chlorosulphonyl-1,3-benzodioxole,benzo 1,3 dioxol-5-sulfonyl chloride,benzo 1,3 dioxol-5-sulphonyl chloride,benzo 1,3-dioxol-5-sulphonyl chloride
IUPAC Name 1,3-benzodioxole-5-sulfonyl chloride
InChI Key ICUBASIDCXDQAW-UHFFFAOYSA-N
Molecular Formula C7H5ClO4S