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

Modify Date: 2024-01-02 22:30:57

2-methyl-2-[(nitrooxy)methyl]propane-1,3-diyl dinitrate Structure
2-methyl-2-[(nitrooxy)methyl]propane-1,3-diyl dinitrate structure
Common Name 2-methyl-2-[(nitrooxy)methyl]propane-1,3-diyl dinitrate
CAS Number 3032-55-1 Molecular Weight 255.14000
Density 1.513 g/cm3 Boiling Point 343.8ºC at 760 mmHg
Molecular Formula C5H9N3O9 Melting Point N/A
MSDS N/A Flash Point 159.6ºC

 Names

Name [2-methyl-3-nitrooxy-2-(nitrooxymethyl)propyl] nitrate
Synonym More Synonyms

 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

 Synonyms

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