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>.
Duckett JA, et al.
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Carbon monoxide is a minor product formed during the cytochrome P-450-catalyzed oxidation of 1,3-benzodioxoles. Studies with [2-13C]methylene 1,3-benzodioxoles established that the methylenic carbon of the 1,3-benzodioxole ring is the source of the carbon atom in the carbon monoxide, and an
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