1,3-Dioxane,5-ethyl-5-nitro-2-propyl-

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Names

[ CAS No. ]:
5702-40-9

[ Name ]:
1,3-Dioxane,5-ethyl-5-nitro-2-propyl-

[Synonym ]:
5-Aethyl-5-nitro-2-propyl-[1,3]dioxan
2-Nitro-2-ethyl-1,3-propanediol butyraldehyde acetal
5-ethyl-5-nitro-2-propyl-[1,3]dioxane
Butyraldehyde,cyclic 2-ethyl-2-nitrotrimethylene acetal
m-DIOXANE,5-ETHYL-5-NITRO-2-PROPYL
1,5-ethyl-5-nitro-2-propyl

Chemical & Physical Properties

[ Density]:
1.1g/cm3

[ Boiling Point ]:
284.9ºC at 760mmHg

[ Molecular Formula ]:
C9H17NO4

[ Molecular Weight ]:
203.23600

[ Flash Point ]:
116.6ºC

[ Exact Mass ]:
203.11600

[ PSA ]:
64.28000

[ LogP ]:
2.10810

[ Index of Refraction ]:
1.61

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
JH1750000
CHEMICAL NAME :
m-Dioxane, 5-ethyl-5-nitro-2-propyl-
CAS REGISTRY NUMBER :
5702-40-9
BEILSTEIN REFERENCE NO. :
0083516
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C9-H17-N-O4
MOLECULAR WEIGHT :
203.27
WISWESSER LINE NOTATION :
T6O COTJ B3 ENW E2

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 :
2 mL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
9400 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3100 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
180 mL/kg/13W-I
TOXIC EFFECTS :
Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1,3-Propanediol,2-ethyl-2-nitro-
  • Butyraldehyde

DownStream

Related Compounds

  • 1,3-Dioxane,5-ethyl-5-nitro-2-(2-phenylethyl)-
  • 1,3-Dioxane,5-ethyl-2-methyl-5-nitro-2-propyl-
  • 5-ethyl-5-nitro-2-phenyl-1,3-dioxane
  • 5-ethyl-5-nitro-2-(2-phenylethenyl)-1,3-dioxane
  • 1,3-Dioxane-5-methanol,5-nitro-2-propyl-
  • 1,3-Dioxane,5-methyl-5-nitro-2-propyl-
  • 2-Fluoro-4-(4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridin-3-yl)benzonitrile
  • 4,5,6,7-Tetrahydro-1-[4-(1h-tetrazol-1-yl)phenyl]-1h-pyrazolo[4,3-c]pyridine
  • 4-[[(1,3-Dihydro-1-oxo-5-isobenzofuranyl)carbonyl]amino]-3-oxo-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
  • tert-butyl 2-(1-oxo-3,4-dihydroisochromen-6-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
  • tert-butyl 1-(1-oxo-3H-2-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
  • 5-(4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridin-2-yl)-3H-2-benzofuran-1-one
  • Tert-butyl 2-(5-cyanopyridin-2-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5h)-carboxylate
  • 2-Fluoro-5-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)benzonitrile
  • (3-Chloroquinoxalin-2-yl)methanamine hydrochloride
  • Tert-butyl 2-(4-cyano-3-methoxyphenyl)-5,6-dihydroimidazo[1,2-a]pyrazine-7(8h)-carboxylate
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