CAS 78-11-5|Pentaerithrityl tetranitrate
Introduction：Basic information about CAS 78-11-5|Pentaerithrityl tetranitrate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| 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 | / | Flash Point | 198.8±30.7 °C |
| Symbol | 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 |
| InChIKey | TZRXHJWUDPFEEY-UHFFFAOYSA-N |
| SMILES | O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-] |
| 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 |
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)
- 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 |
|---|---|
| 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 |
Articles26
More Articles| Organic nitrates differentially modulate circulating endothelial progenitor cells and endothelial function in patients with symptomatic coronary artery disease. 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 |
