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Chemical structure of 5,6-Dibromo-1,3-dioxaindane

GC41786

5,6-Dibromo-1,3-dioxaindane

Also listed as 1,2-Dibromo-4,5-methylenedioxybenzene

1,2-Dibromo-4,5-methylenedioxybenzene is an analytical reference standard categorized as a potential impurity in the synthesis of amphetamines, including 3,4-MDMA

ChemicalCAS5279-32-3MW279.9FormulaC7H4Br2O2
CAS number
5279-32-3
Molecular weight
279.9
Formula
C7H4Br2O2
Solubility
DMF： 30 mg/ml,DMSO： 30 mg/ml,DMSO：PBS (pH 7·2) (1：2)： 0·33 mg/ml,Ethanol： 10 mg/ml
InChIKey
WPYAICCSYGUFTK-UHFFFAOYSA-N
Catalogue number
GC41786
Brand
GLPBIO
Computed properties PubChem CID 225814 · XLogP 3.1 · TPSA 18.5 Ų · H-bond donors 0
XLogP
3.1
TPSA
18.5 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
11

SMILES C1OC2=CC(=C(C=C2O1)Br)Br

Computed descriptors from PubChem (CID 225814), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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