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Substance Name: 3-Heptene, 3-nitro-
RN: 6187-24-2
InChIKey: GWDKXPLSCZJVHP-SREVYHEPSA-N

Molecular Formula

  • C7-H13-N-O2

Molecular Weight

  • 143.185
 
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Names and Synonyms

Synonyms

  • 3-Nitro-3-heptene
  • 4-01-00-00862 (Beilstein Handbook Reference)
  • BRN 1703519

Systematic Name

  • 3-Heptene, 3-nitro-

Registry Numbers

CAS Registry Number

  • 6187-24-2

System Generated Number

  • 0006187242

Structure Descriptors

InChI

1S/C7H13NO2/c1-3-5-6-7(4-2)8(9)10/h6H,3-5H2,1-2H3/b7-6-

InChIKey

GWDKXPLSCZJVHP-SREVYHEPSA-N

Smiles

C(=C/CCC)(\[N+](=O)[O-])CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 1400mg/kg (1400mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 408, 1986.
rat LD50 intraperitoneal 280mg/kg (280mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 408, 1986.
rat LD50 oral 620mg/kg (620mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 408, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.750 (none)   EST
Water Solubility 148 mg/L 25 EST
Vapor Pressure 0.319 mm Hg 25 EST
Henry's Law Constant 4.46E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.11E-11 cm3/molecule-sec 25 EST

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