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Sigma-Aldrich

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

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. 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.

Pictograms

Exclamation mark

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
Supersonic jet fluorescence spectroscopy of 1, 3-benzodioxole: A non-planar (C< sub> 2</sub>) structure in S0.
Hassan KM and Hollas JM.
Chemical Physics Letters, 157(3), 183-188 (1989)
Ron Amon et al.
Oncotarget, 8(68), 112236-112244 (2018-01-20)
Humans have circulating antibodies against diverse glycans containing
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)

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