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Substance Name: 1,3-Benzodioxole
RN: 274-09-9
UNII: F0XLL582B8
InChIKey: FTNJQNQLEGKTGD-UHFFFAOYSA-N

Molecular Formula

  • C7-H6-O2

Molecular Weight

  • 122.122
 
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Names and Synonyms

Name of Substance

  • 1,3-Benzodioxole

Synonyms

  • 1,2-Methylenedioxybenzene
  • 1,3-Dioxaindan
  • 1,3-Dioxindan
  • 2H-1,3-Benzodioxole
  • 3,4-Methylenedioxybenzene
  • 5-19-01-00434 (Beilstein Handbook Reference)
  • AI3-30574
  • Benzene, 1,2-(methylenebis(oxy))-
  • Benzodioxole
  • BRN 0115506
  • EC 205-992-0
  • EINECS 205-992-0
  • Methylenedioxybenzene
  • NSC 30095
  • o-(Methylenedioxy)benzene
  • UNII-F0XLL582B8

Systematic Names

  • 1,3-Benzodioxolane
  • 1,3-Benzodioxole
  • Benzene, 1,2-methylenedioxy-

Registry Numbers

CAS Registry Number

  • 274-09-9

FDA UNII

  • F0XLL582B8

System Generated Number

  • 0000274099

Structure Descriptors

InChI

1S/C7H6O2/c1-2-4-7-6(3-1)8-5-9-7/h1-4H,5H2

InChIKey

FTNJQNQLEGKTGD-UHFFFAOYSA-N

Smiles

c12c(OCO1)cccc2

Toxicity

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: EXCITEMENT

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Toxicology and Applied Pharmacology. Vol. 7, Pg. 18, 1965.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 172.5 deg C   EXP
log P (octanol-water) 2.08 (none)   EXP
Water Solubility 1650 mg/L 25 EST
Vapor Pressure 0.571 mm Hg 25 EST
Henry's Law Constant 6.26E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.08E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.