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Substance Name: Tropilidine
RN: 544-25-2
InChIKey: CHVJITGCYZJHLR-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H8

Molecular Weight

  • 92.1402
 
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Names and Synonyms

Name of Substance

  • Tropilidine

Synonyms

  • EINECS 208-866-3
  • Tropiliden
  • Tropilidene

Systematic Names

  • 1,3,5-Cycloheptatriene
  • Cycloheptatriene

Superlist Names

  • Cycloheptatriene
  • Cycloheptatriene [UN2603] [Flammable liquid]
  • UN2603

Registry Numbers

CAS Registry Number

  • 544-25-2

System Generated Number

  • 0000544252

Structure Descriptors

InChI

1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2

InChIKey

CHVJITGCYZJHLR-UHFFFAOYSA-N

Smiles

C1C=CC=CC=C1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 171mg/kg (171mg/kg) BLOOD: HEMORRHAGE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

VASCULAR: REGIONAL OR GENERAL ARTERIOLAR CONSTRICTION
Annals of Occupational Hygiene. Vol. 10, Pg. 123, 1967.
rat LD50 oral 57mg/kg (57mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

VASCULAR: REGIONAL OR GENERAL ARTERIOLAR CONSTRICTION

BLOOD: HEMORRHAGE
Annals of Occupational Hygiene. Vol. 10, Pg. 123, 1967.
rat LD50 skin 442mg/kg (442mg/kg)   Annals of Occupational Hygiene. Vol. 10, Pg. 123, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.95E+01 deg C   EXP
Boiling Point 117 deg C   EXP
log P (octanol-water) 2.63 (none)   EXP
Water Solubility 620 mg/L 25 EXP
Vapor Pressure 23.5 mm Hg 25 EXP
Henry's Law Constant 4.60E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.69E-11 cm3/molecule-sec 25 EXP

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