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MilliporeSigma

159166

1,3-Benzodioxole

99%

Synonym(s):

1,2-(Methylenedioxy)benzene

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50 G

$70.20

$70.20


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About This Item

Empirical Formula (Hill Notation):
C7H6O2
CAS Number:
Molecular Weight:
122.12
Beilstein/REAXYS Number:
115506
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

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vapor pressure

12 mmHg ( 25 °C)

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.[1] The far-infrared spectrum of the vapour of 1,3-benzodioxole has been reported.[2] The electronic absorption spectra and the laser-induced fluorescence spectra of supersonic-jet-cooled 1,3-benzodioxole molecules has been investigated.[3]

pictograms

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signalword

Warning

hcodes

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

141.8 °F - closed cup

flash_point_c

61 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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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)
Marie-Josée Haglund Halsør et al.
Scientific reports, 10(1), 11995-11995 (2020-07-21)
Nonulosonic acid (NulO) biosynthesis in bacteria is directed by nab gene clusters that can lead to neuraminic, legionaminic or pseudaminic acids. Analysis of the gene content from a set mainly composed of Aliivibrio salmonicida and Moritella viscosa strains reveals the
1, 3-benzodioxole: far-infrared spectrum 50-500 cm< sup>- 1</sup>.
Duckett JA, et al.
Chemical Physics Letters, 64(2), 261-265 (1979)
J S Sidhu et al.
Journal of biochemical and molecular toxicology, 12(5), 253-262 (1998-07-17)
A well-characterized primary rat hepatocyte culture system was used to examine induction patterns of cytochrome 450 gene expression by a series of 4-n-alkyl-methylenedioxybenzene (MDBs) derivatives. Hepatocytes were treated for 24, 48, or 72 hours with 0-500 microM of the MDB
A S Tasker et al.
Journal of medicinal chemistry, 40(3), 322-330 (1997-01-31)
The benzodioxole ((methylenedioxy)benzene) group is present in a number of endothelin (ET) receptor antagonists thus far reported. As part of our own endothelin antagonist program we have developed (2R*,3R*,4S*)-1-(N,N-dibutylacetamido)-4-(1,3-benzodioxol-5- yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid (A-127722). This is a potent antagonist, binding to the

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