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| Name |
N(sup 4),N(sup 4)-Bis(2-chloroethyl)sulfanilamide |
EINECS | N/A |
| CAS No. | 2045-41-2 | Density | 1.4g/cm3 |
| PSA | 71.78000 | LogP | 3.39910 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H14Cl2N2O2S | Boiling Point | 474.5°Cat760mmHg |
| Molecular Weight | 297.22 | Flash Point | 240.8°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and SOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Sulfanilamide,N(sup 4),N(sup 4)-bis(2-chloroethyl);I.C. 20;Benzenesulfonamide,4-(bis(2-chloroethyl)amino);4- |
N(sup 4),N(sup 4)-Bis(2-chloroethyl)sulfanilamide Chemical Properties
Molecule structure of N(sup 4),N(sup 4)-Bis(2-chloroethyl)sulfanilamide (CAS NO.2045-41-2):
IUPAC Name: 4-[Bis(2-chloroethyl)amino]benzenesulfonamide
Molecular Weight: 297.20136 g/mol
Molecular Formula: C10H14Cl2N2O2S
Density: 1.4 g/cm3
Boiling Point: 474.5 °C at 760 mmHg
Flash Point: 240.8 °C
Index of Refraction: 1.586
Molar Refractivity: 71.25 cm3
Molar Volume: 212.1 cm3
Polarizability: 28.24×10-24 cm3
Surface Tension: 54.2 dyne/cm
Enthalpy of Vaporization: 73.79 kJ/mol
Vapour Pressure: 3.59E-09 mmHg at 25 °C
XLogP3: 1.9
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 6
Exact Mass: 296.015304
MonoIsotopic Mass: 296.015304
Topological Polar Surface Area: 63.4
Heavy Atom Count: 17
Complexity: 305
Canonical SMILES: C1=CC(=CC=C1N(CCCl)CCCl)S(=O)(=O)N
InChI: InChI=1S/C10H14Cl2N2O2S/c11-5-7-14(8-6-12)9-1-3-10(4-2-9)17(13,15)16/h1-4H,5-8H2,(H2,13,15,16)
InChIKey of N(sup 4),N(sup 4)-Bis(2-chloroethyl)sulfanilamide (CAS NO.2045-41-2): PRZVDHWOIZGGKL-UHFFFAOYSA-N
N(sup 4),N(sup 4)-Bis(2-chloroethyl)sulfanilamide Toxicity Data With Reference
| 1. | ipr-rat LD50:336 mg/kg | JMCMAR Journal of Medicinal Chemistry. 8 (1965),167. | ||
| 2. | ipr-mus LD50:410 mg/kg | JMCMAR Journal of Medicinal Chemistry. 8 (1965),167. |
N(sup 4),N(sup 4)-Bis(2-chloroethyl)sulfanilamide Safety Profile
Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and SOx.
N(sup 4),N(sup 4)-Bis(2-chloroethyl)sulfanilamide Specification
N(sup 4),N(sup 4)-Bis(2-chloroethyl)sulfanilamide (CAS NO.2045-41-2) is also named as BRN 2698013 ; I.C. 20 ; NSC 294899 ; Sulfanilamide, n(sup4),n(sup4)-bis(2-chloroethyl)- ; n(sup4),n(sup4)-Bis(2-chloroethyl)sulfanilamide ; Benzenesulfonamide, 4-(bis(2-chloroethyl)amino)- (9CI) ; Sulfanilamide, N4,N4-bis(2-chloroethyl)- (8CI) .
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