-
Name
1,3,6-Trinitropyrene
- EINECS
- CAS No. 75321-19-6
- Density 1.707g/cm3
- Solubility
- Melting Point
- Formula C16H7 N3 O6
- Boiling Point 560.6°C at 760 mmHg
- Molecular Weight 337.26
- Flash Point 283.1°C
- Transport Information
- Appearance
- Safety Suspected carcinogen. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1,3,6-Trinitropyrene
- PSA 137.46000
- LogP 5.87820
1,3,6-Trinitropyrene Chemical Properties
Product Name: 1,3,6-Trinitropyrene
CAS Registry Number: 75321-19-6
Synonyms: 1,3,6-Trinitropyrene ; BRN 5136064
Systematic Name: Pyrene, 1,3,6-trinitro-
Molecular Formula: C16H7N3O6
Molecular Weight: 337.2433
Surface Tension: 94.7 dyne/cm
Density: 1.707 g/cm3
Flash Point: 283.1 °C
Enthalpy of Vaporization: 81.18 kJ/mol
Boiling Point: 560.6 °C at 760 mmHg
Vapour Pressure: 5.08E-12 mmHg at 25°C
Following is the molecular structure of 1,3,6-Trinitropyrene (CAS NO.75321-19-6) is:
1,3,6-Trinitropyrene Toxicity Data With Reference
| 1. | mmo-sat 1 nmol/plate | CRNGDP Carcinogenesis. 3 (1982),917. | ||
| 2. | msc-ham:lng 2500 µg/L | CRNGDP Carcinogenesis. 3 (1982),917. | ||
| 3. | msc-ham:ovr 200 µg/L | MUREAV Mutation Research. 119 (1983),387. |
1,3,6-Trinitropyrene Safety Profile
Suspected carcinogen. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS.
1,3,6-Trinitropyrene Standards and Recommendations
DFG MAK: Confirmed Animal Carcinogen with Unknown Relevance to Humans
1,3,6-Trinitropyrene Specification
Descriptors computed from structure, you can know some information about 1,3,6-Trinitropyrene (CAS NO.75321-19-6) :
SMILES: [O-][N+](=O)c1ccc4c3c1ccc2c(cc([N+]([O-])=O)c(c23)cc4)[N+]([O-])=O Copy
InChI: InChI=1/C16H7N3O6/c20-17(21)12-6-2-8-1-3-10-13(18(22)23)7-14(19(24)25)11-5-4-9(12)15(8)16(10)11/h1-7H
InChIKey: BXOXVTWMJCUYLW-UHFFFAOYAY
Std. InChI: InChI=1S/C16H7N3O6/c20-17(21)12-6-2-8-1-3-10-13(18(22)23)7-14(19(24)25)11-5-4-9(12)15(8)16(10)11/h1-7H
Std. InChIKey: BXOXVTWMJCUYLW-UHFFFAOYSA-N
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