159166
1,3-Benzodioxole
99%
Synonym(s):
1,2-(Methylenedioxy)benzene
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50 G
$108.00
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)
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]
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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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
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
Ron Amon et al.
Oncotarget, 8(68), 112236-112244 (2018-01-20)
Humans have circulating antibodies against diverse glycans containing
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