66780
1,3-Benzodioxole
purum, ≥99.0% (GC)
Synonym(s):
1,2-(Methylenedioxy)benzene
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About This Item
Empirical Formula (Hill Notation):
C7H6O2
CAS Number:
Molecular Weight:
122.12
EC Number:
205-992-0
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
115506
MDL number:
vapor pressure
12 mmHg ( 25 °C)
grade
purum
assay
≥99.0% (GC)
refractive index
n20/D 1.539
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
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
Storage Class
10 - Combustible liquids
wgk
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
Regulatory Information
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J P Wynn et al.
Lipids, 32(6), 605-610 (1997-06-01)
Sesamol, a nonoil component of sesame seed oil, inhibited growth, fatty acid synthesis, and desaturation by Mucor circinelloides in vivo. Although sesamol also inhibited the growth of other fungi and yeasts, its effect on the lipid metabolism of M. circinelloides
Angeles Castro et al.
European journal of medicinal chemistry, 38(1), 65-74 (2003-02-21)
Several podophyllotoxin derivatives lacking the methylenedioxy group or with different functionalization of the A-ring of the cyclolignan skeleton have been prepared and evaluated for their cytotoxic activities on four neoplastic cell lines (P-388, A-549, HT-29 and MEL-28). Most of them
M Murray et al.
Xenobiotica; the fate of foreign compounds in biological systems, 15(5), 361-368 (1985-05-01)
Several 1,3-benzodioxoles (BD) and related compounds were studied in relation to their ability to generate metabolite complexes with hepatic cytochrome P-450 following administration in vivo to rats. BD derivatives that formed stable metabolite complexes with cytochrome P-450 were considerably more
Y Kumagai et al.
Molecular pharmacology, 42(4), 695-702 (1992-10-01)
The cytochrome P450 isozymes catalyzing the oxidation of the methylenedioxyphenyl compounds methylenedioxybenzene (MDB) and methylenedioxyamphetamine (MDA) have been investigated in rabbit liver preparations. The aromatic ring in MDB undergoes both demethylenation to catechol and aromatic hydroxylation to sesamol, whereas that
M W Anders et al.
Biochemical pharmacology, 33(4), 577-580 (1984-02-15)
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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