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Substance Name: Quadricyclane
RN: 278-06-8
UNII: 8E0K9BG24C
InChIKey: DGZUEIPKRRSMGK-OGWWWXHUSA-N

Molecular Formula

  • C7-H8

Molecular Weight

  • 92.1402
 
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Names and Synonyms

Results Name

  • Quadricyclane

Name of Substance

  • Quadricyclane

Synonyms

  • BRN 0906745
  • EINECS 205-994-1
  • Quadricyclane
  • Tetracyclo(2.2.1.0(sup 2,6).0(sup 3,5))heptane
  • UNII-8E0K9BG24C

Systematic Names

  • Tetracyclo(2.2.1.02,6.03,5)heptane
  • Tetracyclo(3.2.0.0(sup 2,7).0(sup 4,6))heptane

Registry Numbers

CAS Registry Number

  • 278-06-8

FDA UNII

  • 8E0K9BG24C

System Generated Number

  • 0000278068

Structure Descriptors

InChI

1S/C7H8/c1-2-4-5(2)7-3(1)6(4)7/h2-7H,1H2/t2?,3?,4-,5+,6-,7+

InChIKey

DGZUEIPKRRSMGK-OGWWWXHUSA-N

Smiles

C1C2[C@@H]3[C@@H]4C1[C@@H]4[C@H]23

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD skin > 2gm/kg (2000mg/kg)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 12, Pg. 634, 1993.
rat LC50 inhalation 780mg/m3/4H (780mg/m3)   Toxicologist. Vol. 36(1, Pg. pt2), 330.
rat LDLo oral 3500mg/kg (3500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 12, Pg. 634, 1993.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 112 deg C   EXP
log P (octanol-water) 2.9 (none)   EXP
Atmospheric OH Rate Constant 1.83E-12 cm3/molecule-sec 25 EXP

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