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

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-
  • rac-(3R,4S)-4-(cyclopentylmethyl)pyrrolidin-3-ol
  • rac-(3R,4S)-4-(4-methoxybutyl)pyrrolidin-3-ol
  • rac-(3R,4R)-4-(cyclohexylmethyl)pyrrolidin-3-amine
  • Tert-butyl 7-(trifluoromethyl)-2-azaspiro[4.5]decane-4-carboxylate
  • 4-[(Azetidin-3-yloxy)methyl]-3-methoxy-1,2-thiazole
  • 1-[(Benzyloxy)carbonyl]-4-(3-bromo-4-fluorophenyl)pyrrolidine-3-carboxylic acid
  • rac-(1R,2S)-2-[3-cyclopropyl-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]cyclopentane-1-carboxylic acid
  • 2-cyclobutyl-2-[3-cyclopropyl-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]acetic acid
  • 2-[(4-Chloro-3-methylphenyl)methyl]-1,2-oxazolidin-4-ol
  • 3-{[(4-Chloro-3-methylphenyl)methyl](methyl)amino}propan-1-ol
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