| Identification | More | [Name]
1,3-Benzodioxole | [CAS]
274-09-9 | [Synonyms]
1,2-METHYLENDIOXYBENZENE
1,2-METHYLENE DIOXO BENZENE
1,2-METHYLENEDIOXYBENZENE
1,3-BENZODIOXALE
1,3-BENZODIOXOL
1,3-BENZODIOXOLANE
1,3-BENZODIOXOLE
1,3-DIOXAINDANE
3,4-METHYLENEDIOXYBENZENE
BENZO[1,3]DIOXOLE
MDB
METHYLENEDIOXY BENZENE
1,2-methylenedioxy-benzen
1,3-Dioxaindan
1,3-Dioxindan
2h-1,3-benzodioxole
Benzene, 1,2-(methylenedioxy)-
Benzene, 1,2-[methylenebis(oxy)]-
Benzodioxole
o-(methylenedioxy)benzene | [EINECS(EC#)]
205-992-0 | [Molecular Formula]
C7H6O2 | [MDL Number]
MFCD00005818 | [Molecular Weight]
122.12 | [MOL File]
274-09-9.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR COLOURLESS TO LIGHT YELLOW LIQUID | [Melting point ]
-18 °C
| [Boiling point ]
172-173 °C(lit.)
| [density ]
1.064 g/mL at 25 °C(lit.)
| [vapor pressure ]
12 mm Hg ( 25 °C)
| [refractive index ]
n20/D 1.539(lit.)
| [Fp ]
131 °F
| [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
2g/l | [form ]
Powder | [color ]
Yellow to orange to brown | [Water Solubility ]
0.2 g/100 mL (25 ºC) | [BRN ]
115506 | [InChIKey]
FTNJQNQLEGKTGD-UHFFFAOYSA-N | [LogP]
2.08 | [CAS DataBase Reference]
274-09-9(CAS DataBase Reference) | [NIST Chemistry Reference]
1,3-Benzodioxole(274-09-9) | [EPA Substance Registry System]
274-09-9(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/22:Harmful by inhalation and if swallowed .
R22:Harmful if swallowed.
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S16:Keep away from sources of ignition-No smoking .
S36:Wear suitable protective clothing . | [RIDADR ]
UN 1993 3/PG 3
| [WGK Germany ]
3
| [RTECS ]
DA5600000
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29329970 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Ethanol-->Sodium hydroxide-->Diethyl ether-->Acetone-->FUMING SULFURIC ACID-->Dimethyl sulfoxide-->Calcium chloride-->Paraformaldehyde-->Catechol-->1-IODO-3,4-METHYLENEDIOXYBENZENE | [Preparation Products]
Ethyl vanillin-->Piperonyl aldehyde-->4-NITROCATECHOL-->3,4-METHYLENEDIOXYPHENYL ISOTHIOCYANATE-->3,4-(Methylenedioxy)phenylacetonitrile-->PIPERONYL FORMALDEHYDE-->1,2-(Methylenedioxy)-4-nitrobenzene-->Piperonyl chloride-->HOMOPIPERONYLAMINE-->(+/-)-1-(1,3-Benzodioxol-5-yl)-2-broMo-1-pentanone-->5-CHLORO-1,3-BENZODIOXOLE-->N,N,N',N'-TETRAETHYLMETHYLENEDIAMINE-->3,4-(METHYLENEDIOXY)BUTYROPHENONE-->1,3-BENZODIOXOLE-4-CARBOXYLIC ACID |
| Hazard Information | Back Directory | [Description]
1,3-Benzodioxole, widely found in plant products, has shown potent antioxidant and antibacterial activities. It has recently been reported that 1,3-benzodioxole derivatives possess cytotoxic activity against several human tumor cell lines, including human colon carcinoma cells and multidrug-resistant nasopharyngeal carcinoma cells. No cytotoxic effects were noticed at a concentration of 10-4 M. | [Chemical Properties]
CLEAR COLOURLESS TO LIGHT YELLOW LIQUID | [Uses]
1,3-Benzodioxole is useful in gemological stimulant detection. It is also used as a precursor for perfumes, photo initiators, agrochemicals and pharmaceuticals. 1,3-benzodimine is an intermediate for the synthesis of the drugs oxolinic acid, cinoxacin and miloxacin. | [Application]
1,3-Benzodioxole belong to methylenedioxyphenyl (MDP) compounds that regulate cytochrome P 450-dependent drug oxidation, which is important in the process of eliminating drugs from the body. a hydrogen abstraction process can take place from the methylene-bridgea carbon of the benzodioxole compound and form a methylenedioxybenzene radical. It is therefore highly likely that 1,3-benzodioxole could serve as hydrogen donor for a CQ-based system initiating the photopolymerization of dental composite resin. In addition, 1,3-benzodioxole is an important organic intermediate (building block) to synthetize substituted methylenedioxybenzene products. | [Definition]
ChEBI: A benzodioxole consisting of a benzene ring substituted by a the methylenedioxy group. | [Production Methods]
1,3-Benzodioxole is a colorless liquid. This compound is prepared by the reaction of catechol and dihalomethanes, for example, by use of concentrated aqueous alkaline solution in the presence of tetraalkylammonium or phosphonium salts, sometimes in the presence of alkyl iodides. 1,3-Benzodioxole is an important intermediate in organic synthesis, especially for the preparation of alkaloids.
| [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. |
|
|