Heptanaldoxime

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Names

[ CAS No. ]:
629-31-2

[ Name ]:
Heptanaldoxime

[Synonym ]:
Heptanoxime
1-heptanal oxime
(1E)-N-hydroxyheptan-1-imine
heptanal oxime
heptaldoxime
n-heptanaldoxime
n-Heptanal oxime
heptaldehyde oxime
Heptanal, oxime, (1E)-
Heptanaldoxime
(1E)-N-Hydroxy-1-heptanimine

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
194.9±3.0 °C at 760 mmHg

[ Melting Point ]:
57.5ºC

[ Molecular Formula ]:
C7H15NO

[ Molecular Weight ]:
129.200

[ Flash Point ]:
99.7±6.3 °C

[ Exact Mass ]:
129.115356

[ PSA ]:
32.59000

[ LogP ]:
2.53

[ Vapour Pressure ]:
0.2±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.440

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MI7385000
CHEMICAL NAME :
Heptanal, oxime
CAS REGISTRY NUMBER :
629-31-2
BEILSTEIN REFERENCE NO. :
1721246
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C7-H15-N-O

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1045 mg/kg
TOXIC EFFECTS :
Behavioral - general anesthetic Behavioral - excitement Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (5),41,1994
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Behavioral - general anesthetic Behavioral - excitement Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (5),41,1994

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Heptanal
  • 1-nitrohept-1-ene
  • 1-nitroheptan-2-ol
  • Hexanal
  • 1-nitroheptane

DownStream

  • N-benzylheptan-1-imine oxide
  • Thiocarbanilide
  • Dihydrojasmone
  • Heptanamide, N-hydroxy-
  • N-heptylhydroxylamine
  • Heptanal
  • Heptanenitrile
  • n-heptanoic acid
  • N-(N-Heptyl)-N-Octylamine
  • tri-n-heptylamine

Related Compounds

  • 1-Heptanaldoxime
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 5-(4,4-Difluoropyrrolidin-2-yl)-3-methyl-1,2,4-oxadiazole
  • 2-(2-Bromopyridin-4-yl)propan-2-amine
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 6-Azaspiro[3.5]nonan-9-ol
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 2-(2-Bromopyridin-3-yl)ethanol
  • 4-Allyl-2-bromopyridine
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • 4-Bromo-3-(ethylsulfonyl)-5-nitrobenzoic acid ethyl ester