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About This Item
Empirical Formula (Hill Notation):
C7H5ClO2
CAS Number:
Molecular Weight:
156.57
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
201.2 °F - closed cup
Flash Point(C)
94 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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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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