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296481

Sigma-Aldrich

5-Chloro-1,3-benzodioxole

98%

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About This Item

Empirical Formula (Hill Notation):
C7H5ClO2
CAS Number:
7228-38-8
Molecular Weight:
156.57
MDL number:
MFCD00010842
UNSPSC Code:
12352100
PubChem Substance ID:
24857446

assay

98%

refractive index

n20/D 1.556 (lit.)

bp

185-187 °C (lit.)

density

1.34 g/mL at 25 °C (lit.)

SMILES string

Clc1ccc2OCOc2c1

InChI

1S/C7H5ClO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4H2

InChI key

ODQPZHOXLYATLC-UHFFFAOYSA-N

General description

5-Chloro-1,3-benzodioxole was converted into a safrole derivative via one-pot process involving two consecutive irradiations.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

201.2 °F - closed cup

flash_point_c

94 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

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Davide Ravelli et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 17(2), 572-579 (2011-01-06)
A mild and general method for the synthesis of potentially bioactive 2-substituted-1,3-benzodioxoles is presented. This is based on the photocatalyzed activation of methylene hydrogen atoms in the presence of tetrabutylammonium decatungstate (TBADT). The method gave yields ranging from 46-77 % with

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