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1,3-Benzodioxole

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Name

1,3-Benzodioxole

EINECS 205-992-0
CAS No. 274-09-9 Density 1.213 g/cm3
Solubility 0.2 g/100 mL (25 °C) in water Melting Point -18 °C
Formula C7H6O2 Boiling Point 173 °C at 760 mmHg
Molecular Weight 122.13 Flash Point 55 °C
Transport Information UN 1993 3/PG 3 Appearance clear colourless to light yellow liquid
Safety 23-24/25-36/37/39-26-16-36 Risk Codes 20/22-22-10-36/37/38-20/21/22
Molecular Structure Molecular Structure of 274-09-9 (1,3-Benzodioxole) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

Benzene,1,2-(methylenedioxy)- (6CI,8CI);(Methylenedioxy)benzene;1,2-(Methylenedioxy)benzene;1,3-Dioxaindan;1,3-Dioxindan;2H-1,3-Benzodioxole;2H-Benzo[d]-1,3-dioxolane;Benzene,1,2-[methylenebis(oxy)]-;Benzodioxole;o-(Methylenedioxy)benzene;Methylene Dioxy Benzene;1,2-Methylenedioxybenzene;

 

1,3-Benzodioxole Chemical Properties


IUPAC Name: 1,3-Benzodioxole
Canonical SMILES: C1OC2=CC=CC=C2O1
InChI: InChI=1S/C7H6O2/c1-2-4-7-6(3-1)8-5-9-7/h1-4H,5H2
InChIKey: FTNJQNQLEGKTGD-UHFFFAOYSA-N
Molecular Weight: 122.12134 [g/mol]
Molecular Formula: C7H6O2
XLogP3: 2.1
H-Bond Donor: 0
H-Bond Acceptor: 2 
EINECS: 205-992-0 
Melting Point: -18 °C 
Index of Refraction: 1.557
Molar Refractivity: 32.41 cm3
Molar Volume: 100.6 cm3
Surface Tension: 46.4 dyne/cm
Density: 1.213 g/cm3
Flash Point: 55 °C
Enthalpy of Vaporization: 39.25 kJ/mol
Boiling Point: 173 °C at 760 mmHg
Vapour Pressure: 1.73 mmHg at 25 °C
Water Solubility: 0.2 g/100 mL (25 °C)
Product Categories: Aromatic Ethers
Appearance of 1,2-Methylenedioxybenzene (CAS NO.274-09-9): clear colourless to light yellow liquid

1,3-Benzodioxole Uses

 1,2-Methylenedioxybenzene (CAS NO.274-09-9), in chemistry, especially organic chemistry, is an aromatic ring.

1,3-Benzodioxole Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1220mg/kg (1220mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: COMA

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
rat LD50 oral 580mg/kg (580mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT
Toxicology and Applied Pharmacology. Vol. 7, Pg. 18, 1965.

1,3-Benzodioxole Consensus Reports

Reported in EPA TSCA Inventory.

1,3-Benzodioxole Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes:  Xn,IrritantXi
Hazard Note: Irritant
Risk Statements:
10:  Flammable 
22:  Harmful if swallowed 
20/21/22:  Harmful by inhalation, in contact with skin and if swallowed 
20/22:  Harmful by inhalation and if swallowed 
36/37/38:  Irritating to eyes, respiratory system and skin 
Safety Statements:
16:  Keep away from sources of ignition - No smoking 
23:  Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) 
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
36:  Wear suitable protective clothing 
24/25:  Avoid contact with skin and eyes 
36/37/39:  Wear suitable protective clothing, gloves and eye/face protection 
RIDADR: UN 1993 3/PG 3
WGK Germany: 3
RTECS of 1,2-Methylenedioxybenzene (CAS NO.274-09-9): DA5600000

1,3-Benzodioxole Specification

  1,2-Methylenedioxybenzene (CAS NO.274-09-9), its Synonyms are 1,3-Dioxaindan ; 1,3-Dioxindan ; 2H-1,3-Benzodioxole ; 3,4-Methylenedioxybenzene ; Benzene, 1,2-(methylenebis(oxy))- ; Benzodioxole ; Methylenedioxybenzene ; o-(Methylenedioxy)benzene ; 1,3-Benzodioxolane ; 1,3-Benzodioxole ; Benzene, 1,2-methylenedioxy- .

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