159166
1,3-Benzodioxole
99%
Synonym(s):
1,2-(Methylenedioxy)benzene
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About This Item
Empirical Formula (Hill Notation):
C7H6O2
CAS Number:
Molecular Weight:
122.12
Beilstein:
115506
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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vapor pressure
12 mmHg ( 25 °C)
Quality Level
Assay
99%
form
liquid
refractive index
n20/D 1.539 (lit.)
bp
172-173 °C (lit.)
density
1.064 g/mL at 25 °C (lit.)
SMILES string
C1Oc2ccccc2O1
InChI
1S/C7H6O2/c1-2-4-7-6(3-1)8-5-9-7/h1-4H,5H2
InChI key
FTNJQNQLEGKTGD-UHFFFAOYSA-N
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General description
Supersonic jet fluorescence spectra of 1,3-benzodioxole has been studied. The far-infrared spectrum of the vapour of 1,3-benzodioxole has been reported. The electronic absorption spectra and the laser-induced fluorescence spectra of supersonic-jet-cooled 1,3-benzodioxole molecules has been investigated.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
141.8 °F - closed cup
Flash Point(C)
61 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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1, 3-benzodioxole: far-infrared spectrum 50-500 cm< sup>- 1</sup>.
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Spectroscopic Determination of the Vibrational Potential Energy Surface and Conformation of 1, 3-Benzodioxole in Its S1 (p, p*) Excited State. The Effect of the Electronic Excitation on the Anomeric Effect.
Laane J, et al.
Journal of the American Chemical Society, 122(11), 2628-2634 (2000)
Supersonic jet fluorescence spectroscopy of 1, 3-benzodioxole: A non-planar (C< sub> 2</sub>) structure in S0.
Hassan KM and Hollas JM.
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