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| Name |
HX-868 |
EINECS | N/A |
| CAS No. | 7722-73-8 | Density | 1.24g/cm3 |
| PSA | 60.24000 | LogP | 2.20350 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C21H27N3O3 | Boiling Point | 589.4°Cat760mmHg |
| Molecular Weight | 369.51 | Flash Point | 269.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzene,1,3,5-tris((2-ethyl-aziridinyl)-carbonyl);1,1',1''-(1,3,5-Benzenetriyltriscarbonyl)tris(2-ethylaziridine);Aziridine,1,1',1''-(S-phenenyltricarbonyl)tris(2-ethyl-(8ci);1,3,5-tris[(2-ethylaziridinyl)carbonyl]benzene;1,3,5-TRIS(CARBONYL-2-ETHYL-1-AZIRIDINE)BENZENE;Einecs 231-762-4;1,3,5-TRIS(CARBONYL-2-ETHYL-1-AZIDINE)BENZENE; |
HX-868 Chemical Properties
Molecule structure of HX-868 (CAS NO.7722-73-8) :
IUPAC Name: [3,5-bis(2-ethylaziridine-1-carbonyl)phenyl]-(2-ethylaziridin-1-yl) methanone
Molecular Weight: 369.45738 g/mol
Molecular Formula: C21H27N3O3
Density: 1.24 g/cm3
Boiling Point: 589.4 °C at 760 mmHg
Flash Point: 269.1 °C
Index of Refraction: 1.606
Molar Refractivity: 102.78 cm3
Molar Volume: 297.7 cm3
Polarizability: 40.74×10-24 cm3
Surface Tension: 52.3 dyne/cm
Enthalpy of Vaporization: 87.96 kJ/mol
Vapour Pressure: 7.19E-14 mmHg at 25 °C
XLogP3-AA: 2.5
H-Bond Acceptor: 3
Rotatable Bond Count: 6
Exact Mass: 369.205242
MonoIsotopic Mass: 369.205242
Topological Polar Surface Area: 60.2
Heavy Atom Count: 27
Complexity: 539
Undefined Atom StereoCenter Count: 3
Canonical SMILES: CCC1CN1C(=O)C2=CC(=CC(=C2)C(=O)N3CC3CC)C(=O)N4CC4CC
InChI: InChI=1S/C21H27N3O3/c1-4-16-10-22(16)19(25)13-7-14(20(26)23-11-17(23)5-2)9-15(8-13)21(27)24-12-18(24)6-3/h7-9,16-18H,4-6,10-12H2,1-3H3
InChIKey: WTGFSHHTVSYGMF-UHFFFAOYSA-N
EINECS of HX-868 (CAS NO.7722-73-8) : 231-762-4
HX-868 Toxicity Data With Reference
| 1. | ipr-mus LD50:100 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD441-640 . |
HX-868 Consensus Reports
Reported in EPA TSCA Inventory.
HX-868 Safety Profile
Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx.
HX-868 Specification
HX-868 (CAS NO.7722-73-8) is also called 1,3,5-Tris(carbonyl-2-ethyl-1-azidine)benzene ; AI3-50955 ; Benzene, 1,3,5-tris((2-ethyl-aziridinyl)-carbonyl)- ; NSC 45079 ; Tris(N-1',2'-butylene)trimesamide ; 1,1',1''-(Benzene-1,3,5-triyltricarbonyl)tris(2-ethylaziridine) ; Aziridine, 1,1',1''-(1,3,5-benzenetriyltricarbonyl)tris(2-ethyl)- ; Aziridine, 1,1',1''-(s-phenenyltricarbonyl)tris(2-ethyl)- (8CI) ; Benzene, 1,3,5-tris((2-ethyl-aziridinyl)-carbonyl)- .
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