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

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Names

[ 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-
1-(2,6-dichlorobenzyl)-3,7,9-trimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
CID 16798083
3,4,7,9-tetramethyl-1-(2-methylpropyl)-4H-purino[8,7-c][1,2,4]triazine-6,8-dione
1-(3,3-dimethyl-2-oxobutyl)-3,4,7,9-tetramethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione
1-butyl-7,9-dimethyl-3-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
1-heptyl-7,9-dimethyl-3-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
1-isopentyl-7,9-dimethyl-3-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
7,9-dimethyl-1-(2-methylbenzyl)-3-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
1-(2-fluorobenzyl)-7,9-dimethyl-3-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
1-(4-fluorobenzyl)-7,9-dimethyl-3-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione

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