1,3-Dioxane,5-methyl-5-nitro-

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Names

[ CAS No. ]:
1194-36-1

[ Name ]:
1,3-Dioxane,5-methyl-5-nitro-

[Synonym ]:
m-DIOXANE,5-METHYL-5-NITRO
1,3-Dioxane,5-methyl-5-nitro
5-Nitro-5-methyl-1,3-dioxane
5-methyl-5-nitro-[1,3]dioxane
1,5-methyl-5-nitro
5-Methyl-5-nitro-<1.3>dioxan

Chemical & Physical Properties

[ Density]:
1.24g/cm3

[ Boiling Point ]:
228.1ºC at 760 mmHg

[ Molecular Formula ]:
C5H9NO4

[ Molecular Weight ]:
147.12900

[ Flash Point ]:
114.5ºC

[ Exact Mass ]:
147.05300

[ PSA ]:
64.28000

[ LogP ]:
0.54930

[ Vapour Pressure ]:
0.0748mmHg at 25°C

[ Index of Refraction ]:
1.464

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
JH2275000
CHEMICAL NAME :
m-Dioxane, 5-methyl-5-nitro-
CAS REGISTRY NUMBER :
1194-36-1
BEILSTEIN REFERENCE NO. :
0123791
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C5-H9-N-O4
MOLECULAR WEIGHT :
147.15
WISWESSER LINE NOTATION :
T6O COTJ ENW E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
178 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00098

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Formaldehyde
  • 2-Methyl-2-Nitro-1,3-Propanediol

DownStream

  • 5-methyl-1,3-dioxan-5-amine

Related Compounds

  • 1,3-Dioxane,5-methyl-5-nitro-2-phenyl
  • 1,3-Dioxane,5-methyl-5-nitro-2-propyl-
  • 1,3-Dioxane,5-methyl-5-nitro-2-(2-phenylethenyl)-
  • 5-methyl-5-nitro-2-phenethyl-1,3-dioxane
  • 5-methyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane
  • 1,3-Dioxane,5-methyl-2-[4-(1-methylethyl)phenyl]-5-nitro-
  • (R)-2-(3-Phenylbicyclo[1.1.1]pentan-1-yl)propanoic acid
  • Methyl 8-(2,2-difluoroethoxy)-3-methylcinnoline-6-carboxylate
  • (S)-2-Amino-3-(3-fluorocyclobutyl)propanoic acid
  • Methyl 6-fluoro-1-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylate
  • 6-Fluoro-1H-benzo[c][1,2,6]thiadiazin-4(3H)-one 2,2-dioxide
  • 6-Bromo-4a,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
  • Ethyl 6-fluoro-4-hydroxy-5-((triisopropylsilyl)ethynyl)-2-naphthoate
  • Ethyl 5-chloro-8-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylate
  • rel-(1R,5S)-3-(((9H-Fluoren-9-yl)methoxy)carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
  • rel-((1R,2R)-2-(Pyridin-4-yl)cyclopropyl)boronic acid
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