2-methyl-2-[(nitrooxy)methyl]propane-1,3-diyl dinitrate

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Names

[ Name ]:
2-methyl-2-[(nitrooxy)methyl]propane-1,3-diyl dinitrate

[Synonym ]:
Trimethylolethane trinitrate
Nitropentaglycerin
2-methyl-1,3-bis-nitrooxy-2-nitrooxymethyl-propane
1,1,1-Trimethylolethane trinitrate
1,3-Propanediol,2-methyl-2-[(nitrooxy)methyl]-,dinitrate (ester)
Metriol trinitrate
2-methyl-1,3-bis-nitryloxy-2-nitryloxymethyl-propane
2-methyl-2-[(nitrooxy)methyl]propane-1,3-diyl dinitrate
TMETN
1,1,1-tris(methylol)ethane trinitrate
1,1,1-tris-nitrooxymethyl-ethane
2-Methyl-1,3-bis-nitryloxy-2-nitryloxymethyl-propan
EINECS 221-214-2

Chemical & Physical Properties

[ Density]:
1.513 g/cm3

[ Boiling Point ]:
343.8ºC at 760 mmHg

[ Molecular Formula ]:
C₅H₉N₃O₉

[ Molecular Weight ]:
255.14000

[ Flash Point ]:
159.6ºC

[ Exact Mass ]:
255.03400

[ PSA ]:
165.15000

[ LogP ]:
1.18720

[ Index of Refraction ]:
1.487

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TY7270000

CHEMICAL NAME :: 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-, trinitrate (ester)

CAS REGISTRY NUMBER :: 3032-55-1

BEILSTEIN REFERENCE NO. :: 1714870

LAST UPDATED :: 199710

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C5-H9-N3-O9

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 :: 1027 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Behavioral - muscle contraction or spasticity Behavioral - irritability

REFERENCE :: ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 12,610,1993

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 658 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Behavioral - tremor Behavioral - muscle contraction or spasticity

REFERENCE :: ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 12,610,1993

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 12,608,1993

Safety Information

[ RIDADR ]:
0473

[ Hazard Class ]:
1.1A

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

ethyl nitrate
1,1,1-Trimethylolethane mononitrate
1,1,1-Trimethylolethane dinitrate
(3-methyloxetan-3-yl)methanol,nitric acid

Related Compounds

N-(5-methyl-2-phenyloxazolo[5,4-b]pyridin-6-yl)thiophene-3-carboxamide
1-methyl-N-(5-methyl-2-phenyloxazolo[5,4-b]pyridin-6-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide
2-(4-fluorophenyl)-N-(5-methyl-2-phenyloxazolo[5,4-b]pyridin-6-yl)acetamide
N-(5-methyl-2-phenyloxazolo[5,4-b]pyridin-6-yl)benzo[d][1,3]dioxole-5-carboxamide
2-(2-fluorophenoxy)-N-(5-methyl-2-phenyloxazolo[5,4-b]pyridin-6-yl)acetamide
2-(2-chlorophenyl)-N-(5-methyl-2-phenyloxazolo[5,4-b]pyridin-6-yl)acetamide
N-(5-methyl-2-phenyloxazolo[5,4-b]pyridin-6-yl)-4-propyl-1,2,3-thiadiazole-5-carboxamide
N-(5-methyl-2-phenyloxazolo[5,4-b]pyridin-6-yl)benzo[d]thiazole-2-carboxamide
Methyl 4-({5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl}carbamoyl)benzoate
N-(5-methyl-2-phenyloxazolo[5,4-b]pyridin-6-yl)benzo[c][1,2,5]thiadiazole-5-carboxamide

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