-
Name
N-[4-[Bis(2-cyanoethyl)amino]phenyl]-9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenesulfonamide
- EINECS
- CAS No. 66903-22-8
- Density 1.483g/cm3
- Solubility
- Melting Point
- Formula C26H20 N4 O5 S
- Boiling Point 829.9°C at 760 mmHg
- Molecular Weight 500.56
- Flash Point 455.7°C
- Transport Information
- Appearance
- Safety A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of SOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols A poison.
- Synonyms
- PSA
- LogP
N,N-bis(2-Cyanoethyl)-N-4-hydroxy-1-anthraquinonylsulfonilamide Chemical Properties
IUPAC Name: N-[4-[bis(2-Cyanoethyl)amino]phenyl]-4-hydroxy-9,10-dioxoanthracene-1-sulfonamide
Synonyms of N,N-bis(2-Cyanoethyl)-N-4-hydroxy-1-anthraquinonylsulfonilamide (CAS NO.66903-22-8): 1-Anthracenesulfonamide, 9,10-dihydro-N-(4-(bis(2-cyanoethyl)amino)phenyl)-d,10-dioxo-4-hydroxy-
InChI: InChI=1/C26H20N4O5S/c27-13-3-15-30(16-4-14-28)18-9-7-17(8-10-18)29-36(34,35)22-12-11-21(31)23-24(22)26(33)20-6-2-1-5-19(20)25(23)32/h1-2,5-12,29,31H,3-4,15-16H2
InChIKey: MHYWYKDMLRVHGD-UHFFFAOYAE
Std. InChI: InChI=1S/C26H20N4O5S/c27-13-3-15-30(16-4-14-28)18-9-7-17(8-10-18)29-36(34,35)22-12-11-21(31)23-24(22)26(33)20-6-2-1-5-19(20)25(23)32/h1-2,5-12,29,31H,3-4,15-16H2
Std. InChIKey: MHYWYKDMLRVHGD-UHFFFAOYSA-N
CAS NO: 66903-22-8
Molecular Formula: C26H20N4O5S
Molecular Weight: 500.5258
Molecular Structure : .png)
H bond acceptors: 9
H bond donors: 2
Freely Rotating Bonds: 8
Polar Surface Area: 139.95Å2
Index of Refraction: 1.691
Molar Refractivity: 129.15 cm3
Molar Volume: 337.3 cm3
Surface Tension: 81.5 dyne/cm
Density: 1.483 g/cm3
Flash Point: 455.7 °C
Enthalpy of Vaporization: 124.75 kJ/mol
Boiling Point: 829.9 °C at 760 mmHg
Vapour Pressure: 9.24E-29 mmHg at 25°C
N,N-bis(2-Cyanoethyl)-N-4-hydroxy-1-anthraquinonylsulfonilamide Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | intraperitoneal | 400mg/kg (400mg/kg) | National Technical Information Service. Vol. AD691-490, |
N,N-bis(2-Cyanoethyl)-N-4-hydroxy-1-anthraquinonylsulfonilamide Safety Profile
A poison by intraperitoneal route. When N,N-bis(2-Cyanoethyl)-N-4-hydroxy-1-anthraquinonylsulfonilamide (CAS NO.66903-22-8) is heated to decomposition ,it emits toxic vapors of SOx.
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