Pentaerithrityl tetranitrate

Modify Date: 2024-01-02 13:04:24

Pentaerithrityl tetranitrate Structure
Pentaerithrityl tetranitrate structure
Common Name Pentaerithrityl tetranitrate
CAS Number 78-11-5 Molecular Weight 316.137
Density 1.7±0.1 g/cm3 Boiling Point 426.7±45.0 °C at 760 mmHg
Molecular Formula C5H8N4O12 Melting Point 139ºC
MSDS N/A Flash Point 198.8±30.7 °C
Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Danger

 Names

Name pentaerythritol tetranitrate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.7±0.1 g/cm3
Boiling Point 426.7±45.0 °C at 760 mmHg
Melting Point 139ºC
Molecular Formula C5H8N4O12
Molecular Weight 316.137
Flash Point 198.8±30.7 °C
Exact Mass 316.013885
PSA 220.20000
LogP 4.57
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.511
Stability Stable, but decomposes readily and possibly explosively if heated. Incompatible with strong oxidizing agents. Store cold and keep away from sources of ignition.

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RZ2620000
CHEMICAL NAME :
Pentaerythritol, tetranitrate
CAS REGISTRY NUMBER :
78-11-5
BEILSTEIN REFERENCE NO. :
1716886
LAST UPDATED :
199701
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C5-H8-N4-O12
MOLECULAR WEIGHT :
316.17
WISWESSER LINE NOTATION :
WNO1X1ONW1ONW1ONW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
1669 mg/kg/8Y-C
TOXIC EFFECTS :
Skin and Appendages - dermatitis, other (after systemic exposure)
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Vascular - regional or general arteriolar or venous dilation
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
12875 mg/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Endocrine - thyroid tumors

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
160 mg/L
REFERENCE :
NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-365,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83538 No. of Facilities: 68 (estimated) No. of Industries: 1 No. of Occupations: 6 No. of Employees: 2770 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83538 No. of Facilities: 59 (estimated) No. of Industries: 4 No. of Occupations: 8 No. of Employees: 2650 (estimated) No. of Female Employees: 1267 (estimated)

 Safety Information

Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Danger
Hazard Statements H225-H302 + H332-H319
Precautionary Statements P210-P305 + P351 + P338
Hazard Codes C
Risk Phrases R3
Safety Phrases 35
RIDADR 0473
Packaging Group II
Hazard Class 1.1A

 Synthetic Route

~96%

Pentaerithrityl tetranitrate Structure

Pentaerithrityl...

CAS#:78-11-5

Literature: Kuchurov, Ilya V.; Fomenkov, Igor V.; Zlotin, Sergei G.; Tartakovsky, Vladimir A. Mendeleev Communications, 2012 , vol. 22, # 2 p. 67 - 69

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Pentaerithrityl tetranitrate Structure

Pentaerithrityl...

CAS#:78-11-5

Literature: Camp et al. Journal of the American Chemical Society, 1955 , vol. 77, p. 751

~0%

Pentaerithrityl tetranitrate Structure

Pentaerithrityl...

CAS#:78-11-5

Literature: Blackburn, G. Michael; Beadham, Ian G.; Adams, Harry; Hutchinson, Alistair P.; Nicklin, Stephen Journal of the Chemical Society, Perkin Transactions 1, 2000 , # 2 p. 225 - 230

~%

Pentaerithrityl tetranitrate Structure

Pentaerithrityl...

CAS#:78-11-5

Literature: Werle, Peter; Nonnenmacher, Gerhard; Kruse, Karsten Liebigs Annalen der Chemie, 1980 , # 6 p. 938 - 945

~%

Pentaerithrityl tetranitrate Structure

Pentaerithrityl...

CAS#:78-11-5

Literature: Marans et al. Journal of the American Chemical Society, 1954 , vol. 76, p. 1304

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Pentaerithrityl tetranitrate Structure

Pentaerithrityl...

CAS#:78-11-5

Literature: Marans et al. Journal of the American Chemical Society, 1954 , vol. 76, p. 1304

 Articles26

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Antioxid. Redox Signal. 15(4) , 925-31, (2011)

Symptomatic coronary artery disease (CAD) is usually treated with organic nitrates. Endothelial progenitor cells (EPCs) are a circulating cell population participating in vascular homeostasis in a nit...

Magnetic field-cycling NMR and14N,17O quadrupole resonance in the explosive pentaerythritol tetranitrate (PETN)

J. Magn. Reson. 204(1) , 139-44, (2010)

The explosive pentaerythritol tetranitrate (PETN) C(CH 2–O–NO 2) 4 has been studied by 1H NMR and 14N NQR. The 14N NQR frequency and spin–lattice relaxation time T 1Q for the ν + line have been measur...

Terahertz normal mode relaxation in pentaerythritol tetranitrate.

J. Chem. Phys. 134(1) , 014513, (2011)

Normal vibrational modes for a three-dimensional defect-free crystal of the high explosive pentaerythritol tetranitrate were obtained in the framework of classical mechanics using a previously publish...

 Synonyms

2,2-Bis[(nitrooxy)methyl]-1,3-propanediol Dinitrate (Ester)
pentrite
SDM 35
Angicap
SDM 23
Pentaerythritol,tetranitrate
Pentaerythritol tetranitrate
elpetn
PETN
Erinit
EINECS 201-084-3
1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, dinitrate (ester)
tetranitrate de pentaerithrityle
Extex
pentaerythrityl tetranitrate
CHOT
3-(Nitrooxy)-2,2-bis[(nitrooxy)methyl]propyl nitrate
Nexit
Antora
pentaerithrityli tetranitras
tetranitrato de pentaeritritilo
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